data_2k36_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 2k36 _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' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.436 -1.157 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.79 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.38 142.03 18.27 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.837 0.827 . . . . 0.0 112.612 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -104.03 -47.3 4.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.421 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.615 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -83.58 -4.91 58.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.166 -176.147 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.663 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -42.37 -49.08 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.917 172.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.501 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 38.1 t70 -115.27 20.01 15.18 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.861 0.865 . . . . 0.0 110.602 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.615 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 9.4 t0 -49.84 -41.03 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.793 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.542 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 9.9 t70 78.06 -22.61 0.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.89 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -132.29 170.91 14.39 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 121.068 0.461 . . . . 0.0 111.216 -178.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.683 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.7 tp -75.08 139.26 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.584 -174.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.3 m -106.64 -168.47 1.42 Allowed 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 121.492 0.663 . . . . 0.0 111.809 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -74.27 163.71 27.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.235 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.495 ' O ' HG21 ' A' ' 137' ' ' ILE . 40.9 mtp180 -52.82 -42.99 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.834 0.826 . . . . 0.0 109.56 167.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -71.59 -7.53 48.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.132 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 14.9 t -96.31 -26.47 15.37 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 19.7 mm -80.72 -8.89 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.538 1.161 . . . . 0.0 108.058 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 23' ' ' ARG . 44.7 mm -69.56 -56.0 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 113.154 -1.839 . . . . 0.0 109.621 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -74.07 -31.28 62.78 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 114.535 -1.212 . . . . 0.0 108.946 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.681 HD21 HD23 ' A' ' 53' ' ' LEU . 30.0 tp -50.29 -49.67 52.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.854 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 30' ' ' ILE . 6.8 mm -60.2 -35.57 62.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.378 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.5 -47.59 69.53 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.79 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -58.51 -50.61 73.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 66.2 t80 -64.97 -55.4 19.3 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 120.746 0.308 . . . . 0.0 111.632 -174.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.4 mm -53.68 -33.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.909 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 44.6 m -77.72 -35.32 52.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.894 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.649 ' O ' HG22 ' A' ' 40' ' ' VAL . 80.6 t90 -67.28 -40.47 86.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.136 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.74 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.85 -29.97 30.99 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.493 0.663 . . . . 0.0 109.682 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' THR . 29.0 t-20 -81.88 -46.3 14.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.103 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 7.0 m170 -55.45 -34.98 64.97 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.692 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 13.5 t -61.19 -21.27 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.779 0.8 . . . . 0.0 110.155 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 110' ' ' GLU . 19.1 mm -99.04 -62.82 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.899 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -52.93 -52.36 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.985 -179.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.4 m-85 -87.28 -11.23 50.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.172 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.692 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.4 t-20 49.13 57.05 6.88 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.391 -1.731 . . . . 0.0 110.608 -172.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.491 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 6.6 mtpm? -74.22 -135.9 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.65 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.3 t70 -135.3 151.12 50.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.702 177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.6 tp -78.81 -29.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.151 174.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.422 HG21 HG22 ' A' ' 47' ' ' ILE . 30.7 p -81.53 -16.08 52.86 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.561 -178.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 29.7 t -73.03 82.2 1.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.349 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p 179.82 -170.42 0.14 Allowed 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.34 -165.27 19.29 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.723 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.542 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 42.8 mtt180 -68.78 -47.03 67.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.594 0.712 . . . . 0.0 111.731 -171.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.681 HD23 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.51 -44.06 56.03 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.82 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.663 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 1.9 m-30 -68.05 -31.77 71.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -174.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 51' ' ' GLY . 60.9 mmtt -60.77 -34.37 74.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.937 0.398 . . . . 0.0 109.997 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.84 -37.6 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.39 -178.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.58 -36.65 69.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.267 0.556 . . . . 0.0 110.628 173.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.63 ' HA ' HH21 ' A' ' 37' ' ' ARG . 44.6 mtt -59.86 -33.59 72.01 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.54 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 58.4 mttt -73.47 -13.23 61.02 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.043 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.615 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -79.21 -13.17 59.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.027 0.917 . . . . 0.0 109.597 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.74 ' HB2' HH22 ' A' ' 37' ' ' ARG . 6.3 t70 -67.3 -42.05 84.35 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 170.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.7 ' HA ' HD13 ' A' ' 65' ' ' ILE . 15.5 t70 -73.51 -42.8 61.32 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.737 -2.029 . . . . 0.0 110.689 -173.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.35 -34.74 62.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.982 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.36 -41.79 63.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.856 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 62' ' ' ASP . 59.8 mt -57.83 -35.59 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.673 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -71.37 -43.85 66.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.084 0.468 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.3 OUTLIER -79.35 -68.82 0.63 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.451 -172.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.04 -37.4 64.31 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 102.97 142.78 12.41 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.767 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.4 ' HB ' HG21 ' A' ' 65' ' ' ILE . 10.9 tp -57.06 -43.52 81.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 O-C-N 124.229 0.605 . . . . 0.0 109.496 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -55.08 -52.78 62.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.403 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.02 -43.92 86.21 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.561 -178.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.727 HG12 HD13 ' A' ' 104' ' ' ILE . 38.1 mt -57.61 -46.6 86.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -54.48 -48.35 71.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.938 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.78 -37.32 79.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.735 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.782 HG21 ' HE1' ' A' ' 80' ' ' MET . 1.1 mp -69.15 -52.96 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.65 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.5 p -54.53 -50.97 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.642 0.734 . . . . 0.0 111.378 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -58.2 -39.32 78.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.203 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.42 73.06 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.05 0.453 . . . . 0.0 110.093 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.782 ' HE1' HG21 ' A' ' 76' ' ' ILE . 11.0 mmt -48.88 -40.16 28.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.723 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 117' ' ' ILE . 53.6 p . . . . . 0 N--CA 1.443 -0.824 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.473 -168.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.513 ' HA ' HD13 ' A' ' 98' ' ' LEU . 48.6 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.14 0.495 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.522 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.9 tt0 -58.06 -39.41 78.38 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.722 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 20.8 t -77.64 -33.44 53.55 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 95' ' ' GLN . 87.6 mt -55.42 -51.99 65.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.789 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.415 ' HB3' HG13 ' A' ' 63' ' ' VAL . 10.8 m-30 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.487 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.33 -33.32 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.173 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.8 m -66.08 -32.29 73.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -72.38 -53.65 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.71 -40.2 98.89 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.049 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.727 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.69 -39.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.12 -30.1 64.73 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.085 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.21 -36.16 71.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 110.516 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -68.56 -29.49 68.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.558 0.694 . . . . 0.0 109.909 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.478 ' HA ' HG22 ' A' ' 77' ' ' VAL . 39.0 mt -75.6 -48.86 28.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 106' ' ' ALA . 8.6 t -62.0 -37.3 84.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.881 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.8 pt-20 -68.59 -49.61 58.02 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.186 -0.321 . . . . 0.0 111.113 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 41.9 t-80 -52.18 -34.41 45.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.608 -173.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 50.5 m0 -72.31 -21.73 61.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.445 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -55.47 -43.38 85.3 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 -168.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.442 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.2 m-30 -50.3 -54.84 18.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 117.37 0.585 . . . . 0.0 112.262 -170.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.558 ' CG ' HG12 ' A' ' 117' ' ' ILE . 3.1 ptpp? -111.44 9.56 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.15 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 58.55 63.37 1.71 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.612 0.72 . . . . 0.0 109.47 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.62 HG22 ' HB2' ' A' ' 81' ' ' SER . 18.3 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.202 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.829 ' HE3' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.654 ' O ' HD11 ' A' ' 137' ' ' ILE . 20.1 p -130.48 156.05 45.43 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.39 -170.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.773 ' HA ' HD13 ' A' ' 137' ' ' ILE . 18.2 t70 -49.49 -29.87 7.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.297 0.57 . . . . 0.0 111.108 168.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.432 ' O ' HD11 ' A' ' 139' ' ' ILE . 10.7 t70 -70.77 -28.58 64.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.579 0.705 . . . . 0.0 109.324 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.829 ' HB3' ' HE3' ' A' ' 132' ' ' MET . 9.4 t-20 -78.92 -31.39 45.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.78 -40.48 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.932 178.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.546 ' O ' HD12 ' A' ' 142' ' ' LEU . 22.5 m-80 -63.82 -43.38 96.4 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.488 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 136' ' ' ASN . 3.7 mt -63.27 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.811 0.815 . . . . 0.0 109.409 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.21 -51.91 65.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.886 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.536 ' HA ' HD13 ' A' ' 20' ' ' ILE . 26.2 mm -51.69 -43.89 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.418 0.627 . . . . 0.0 109.725 175.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.5 -48.46 69.73 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.683 -174.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -56.78 -47.14 80.82 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.948 0.88 . . . . 0.0 110.615 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.796 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 36.1 mt -66.95 -43.2 83.79 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.58 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.524 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.3 mt-10 -53.1 -25.15 12.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 124.145 0.903 . . . . 0.0 112.375 -176.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 11.5 mmmm -47.72 -39.26 17.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.816 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.498 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -121.6 -20.76 6.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 122.113 0.958 . . . . 0.0 110.376 177.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -79.83 178.49 8.16 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.734 -1.575 . . . . 0.0 111.706 178.39 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.179 -166.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 120.757 0.313 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.861 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.04 138.03 31.75 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 178.15 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -106.22 -45.46 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.052 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -74.33 -6.93 50.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.167 -178.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.678 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.2 p -41.72 -47.28 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.066 171.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.541 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.9 t70 -116.34 18.87 15.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.847 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.7 t0 -51.88 -39.28 58.75 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 111.16 -175.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.743 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 19.1 t70 72.62 -24.04 0.2 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.648 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.615 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.1 pttp -115.99 171.86 7.52 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.407 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.728 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.3 tp -88.42 136.18 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.442 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 -163.7 0.88 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-O 121.508 0.67 . . . . 0.0 112.068 -176.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 t -64.2 159.54 20.46 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.785 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 23' ' ' ARG . 44.5 mtt85 -51.66 -43.26 62.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.907 0.86 . . . . 0.0 109.359 167.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.477 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . 17.5 t70 -76.43 -0.39 22.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.975 -172.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 6.4 t -94.14 -26.53 16.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.182 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.566 HD12 HD23 ' A' ' 29' ' ' LEU . 25.4 mm -76.55 -13.11 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 CA-C-O 122.589 1.185 . . . . 0.0 108.172 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 24' ' ' ASP . 45.9 mm -68.75 -56.38 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.076 -1.875 . . . . 0.0 109.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -31.89 63.4 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.637 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.57 HD21 HD23 ' A' ' 53' ' ' LEU . 32.7 tp -50.29 -49.91 52.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.324 -2.216 . . . . 0.0 113.226 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.87 -33.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 -48.41 64.29 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.861 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -58.31 -50.76 72.48 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.826 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 72.5 t80 -62.96 -56.18 19.36 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.952 0.406 . . . . 0.0 111.589 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 HG21 ' A' ' 109' ' ' THR . 43.1 mm -56.37 -31.71 33.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.106 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 28.2 m -77.73 -36.37 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.828 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.599 ' O ' HG21 ' A' ' 40' ' ' VAL . 67.7 t90 -66.97 -41.21 87.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.079 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.436 HH21 ' CD ' ' A' ' 110' ' ' GLU . 33.3 mmm-85 -54.26 -27.17 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.616 0.572 . . . . 0.0 109.821 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 25.9 t-20 -81.43 -45.44 16.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.806 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.456 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 16.3 m170 -59.96 -34.62 73.52 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 12.2 t -61.28 -23.04 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.647 0.737 . . . . 0.0 110.439 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.584 HG13 ' HB2' ' A' ' 110' ' ' GLU . 25.7 mm -91.17 -64.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.926 -175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HB ' ' HD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.08 -48.27 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.581 -178.029 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.539 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.4 m-85 -92.67 -14.69 27.73 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.196 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.64 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.0 t-20 53.43 58.15 5.49 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.831 -166.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 99.5 mttt -72.41 -132.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.485 175.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.63 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.4 t0 -135.16 143.05 46.27 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.295 0.569 . . . . 0.0 110.654 177.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -83.8 -27.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.861 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' HG1' ' CG ' ' A' ' 46' ' ' ASP . 21.6 p -81.52 -19.26 42.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.108 -176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.63 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.3 t -80.5 81.4 6.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.087 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.9 p -171.69 -168.73 0.62 Allowed 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.814 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.541 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.34 -165.86 18.36 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.045 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.743 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mmt180 -71.64 -43.5 66.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.243 0.544 . . . . 0.0 112.026 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD23 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.98 -44.25 63.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.229 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.678 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-30 -70.83 -32.58 69.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 67.6 mmtt -61.68 -35.01 76.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.515 0.674 . . . . 0.0 109.868 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HG2' HD22 ' A' ' 144' ' ' LEU . 13.9 tp10 -72.76 -37.34 67.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.306 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -57.18 -39.0 74.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 172.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 49.3 mtt -57.71 -34.34 69.36 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.779 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 58.7 mttt -69.39 -14.41 62.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.025 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.3 m-30 -76.47 -13.54 60.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.804 0.811 . . . . 0.0 109.72 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.628 ' O ' HG13 ' A' ' 65' ' ' ILE . 6.7 t70 -69.24 -39.92 78.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.726 ' HA ' HD12 ' A' ' 65' ' ' ILE . 12.1 t70 -73.94 -42.92 59.84 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.363 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.78 -35.19 66.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.807 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.56 64.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.915 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 62' ' ' ASP . 66.6 mt -55.69 -37.82 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.074 0.464 . . . . 0.0 110.682 173.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -69.78 -45.96 66.85 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.242 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.446 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -75.95 -72.04 0.34 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.907 -173.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 100' ' ' ALA . 22.8 m-85 -72.82 -32.97 65.89 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.427 -175.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.516 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 102.7 139.29 10.39 Favored Glycine 0 N--CA 1.432 -1.588 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.435 175.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.508 ' HB ' HG23 ' A' ' 65' ' ' ILE . 9.1 tp -59.18 -44.53 92.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -0.751 . . . . 0.0 110.178 -175.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.22 -53.74 52.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.288 0.566 . . . . 0.0 111.266 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.806 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.63 -41.25 88.59 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.61 -176.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.692 HG12 HD13 ' A' ' 104' ' ' ILE . 18.3 mt -58.11 -48.77 83.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.551 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.458 HD22 HG13 ' A' ' 70' ' ' ILE . 95.6 m-20 -57.02 -44.21 82.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.348 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.1 -38.8 69.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.832 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.2 mp -66.26 -52.58 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.814 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.1 p -53.51 -50.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 122.032 0.92 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.9 -38.46 85.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.281 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.33 86.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.621 0.248 . . . . 0.0 110.91 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.832 ' HE1' HG23 ' A' ' 76' ' ' ILE . 13.0 mmt -46.39 -30.59 2.19 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.893 171.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.817 ' HB3' HG22 ' A' ' 117' ' ' ILE . 17.9 m . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.014 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.573 0.225 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.446 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 33.2 tt0 -57.55 -38.75 75.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 0.0 110.57 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -37.82 57.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.642 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.9 mm? -61.26 -48.82 79.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.223 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.418 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.6 m-30 -63.21 -39.59 95.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.362 0.601 . . . . 0.0 110.756 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . . . -57.37 -36.77 71.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.791 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -69.69 -29.12 66.46 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.0 mp -72.42 -51.69 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.429 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.65 -39.04 95.18 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.765 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.53 -40.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.0 t -72.26 -28.1 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.269 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -69.87 -37.17 75.98 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 110.818 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.06 -29.08 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.407 0.622 . . . . 0.0 110.069 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.793 ' HA ' HG23 ' A' ' 77' ' ' VAL . 52.8 mt -71.64 -51.37 33.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 34' ' ' ILE . 10.0 t -60.27 -32.96 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.859 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.584 ' HB2' HG13 ' A' ' 41' ' ' ILE . 23.2 pt-20 -80.07 -39.55 29.48 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -56.11 -29.35 60.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 111.443 -174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.405 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.5 m0 -71.16 -18.46 62.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.682 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.66 93.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.393 -171.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.577 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.7 m-85 -52.98 -63.26 1.2 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.37 19.55 18.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.537 -0.465 . . . . 0.0 112.155 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 60.63 76.06 0.38 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 110.899 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.817 HG22 ' HB3' ' A' ' 81' ' ' SER . 5.3 mt . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.687 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.758 ' HE3' HG13 ' A' ' 137' ' ' ILE . 4.0 ppp? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.653 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.3 p -93.47 -177.66 4.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.693 -170.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.758 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.7 p-10 -81.46 -31.7 32.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -175.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.526 ' O ' HD11 ' A' ' 139' ' ' ILE . 38.1 t70 -74.67 -19.74 60.15 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 111.743 -2.481 . . . . 0.0 110.185 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.751 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 24.5 t-20 -75.29 -31.57 60.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.758 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.2 mp -58.71 -42.54 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.723 175.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.453 ' O ' HD13 ' A' ' 142' ' ' LEU . 37.7 m-80 -67.4 -45.43 76.22 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.793 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.526 HD11 ' O ' ' A' ' 135' ' ' ASP . 3.8 mt -61.17 -39.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.761 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.56 -52.37 61.37 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.92 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.57 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.7 mm -50.92 -47.17 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.393 0.616 . . . . 0.0 109.471 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -66.45 -49.19 67.5 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.205 -175.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -47.81 78.54 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 122.056 0.931 . . . . 0.0 110.406 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.723 ' HB2' HD12 ' A' ' 20' ' ' ILE . 55.1 mt -67.03 -41.8 85.95 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.331 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.659 ' HG3' HG12 ' A' ' 20' ' ' ILE . 44.7 mt-10 -52.99 -25.98 13.85 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.932 0.77 . . . . 0.0 112.55 -177.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 31.6 mmmt -50.26 -38.2 39.74 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.639 172.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.43 -10.47 9.28 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.351 1.072 . . . . 0.0 109.595 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.728 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -97.36 177.49 5.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.369 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.251 1.167 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.065 -168.345 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 120.765 0.317 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.681 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.53 143.57 11.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.746 0.784 . . . . 0.0 112.611 177.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -103.5 -46.89 4.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.208 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.894 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.09 -6.56 56.74 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.354 -175.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -46.66 -45.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.154 173.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.558 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 6.6 t70 -117.18 16.55 14.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.945 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.894 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 25.0 t70 -55.79 -34.87 65.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.668 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.655 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 22.3 t70 74.56 -23.99 0.22 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.763 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.6 ' C ' HD12 ' A' ' 148' ' ' LEU . 24.8 pttm -121.83 172.35 8.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 122.857 0.463 . . . . 0.0 111.239 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.684 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.1 tp -80.96 136.77 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.218 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.0 -166.89 1.34 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 121.542 0.686 . . . . 0.0 111.55 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' HG12 ' A' ' 26' ' ' ILE . 41.2 t -74.14 162.73 28.67 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.964 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 137' ' ' ILE . 95.3 mtt180 -54.28 -43.84 71.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.647 0.736 . . . . 0.0 109.384 167.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.16 -4.53 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.365 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.5 t -99.56 -25.0 14.57 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.197 -175.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.612 ' HB ' HG12 ' A' ' 137' ' ' ILE . 17.9 mm -80.14 -10.23 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.529 1.157 . . . . 0.0 107.995 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 137' ' ' ILE . 44.8 mm -68.68 -54.89 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.816 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 8.2 m-20 -72.09 -34.49 68.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD22 HD21 ' A' ' 53' ' ' LEU . 33.0 tp -50.74 -51.28 51.5 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.786 -174.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.476 HG13 ' HG2' ' A' ' 132' ' ' MET . 5.6 mm -60.04 -34.93 58.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.462 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.13 -47.85 66.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.315 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -59.04 -51.62 69.28 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.5 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 84.8 t80 -62.65 -56.62 16.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.986 -174.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 109' ' ' THR . 30.1 mm -55.03 -32.06 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.945 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 41.4 m -80.08 -34.76 37.81 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.889 175.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.5 t90 -66.87 -41.65 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.244 . . . . 0.0 111.657 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 10.9 mmm180 -56.53 -26.75 55.63 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.4 t-20 -78.01 -47.81 17.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.917 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.688 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 9.2 m170 -52.41 -39.53 61.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.643 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.4 t -57.29 -25.05 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.811 0.815 . . . . 0.0 110.559 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.552 HG21 ' CE1' ' A' ' 114' ' ' TYR . 19.6 mm -94.0 -65.48 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.559 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.176 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 2.2 m-85 -90.19 -10.83 42.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.27 -175.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.2 t-20 50.9 52.1 15.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.677 -174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 54.2 mtpt -76.46 -137.19 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.789 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 2.1 t70 -135.16 145.72 48.05 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.077 0.465 . . . . 0.0 110.112 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -79.54 -28.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.135 174.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.414 HG21 HG23 ' A' ' 47' ' ' ILE . 31.7 p -82.81 -17.11 45.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.446 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 44.3 t -77.61 82.84 4.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.485 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.4 ' SG ' ' HE3' ' A' ' 58' ' ' MET . 23.4 p -172.85 -166.24 0.35 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.561 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.558 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.36 -165.47 18.28 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.947 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.655 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.3 mtt180 -68.5 -48.0 65.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.433 0.635 . . . . 0.0 111.701 -172.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.738 HD21 HD22 ' A' ' 29' ' ' LEU . 5.1 tt -51.58 -44.74 62.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.644 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.642 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 54.9 mmtt -62.91 -33.99 76.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.36 0.6 . . . . 0.0 109.437 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.657 ' HG2' HD21 ' A' ' 144' ' ' LEU . 14.5 tp10 -72.13 -37.8 69.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -176.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -57.03 -39.03 74.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.487 172.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.565 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.1 mtt -58.46 -34.37 70.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.808 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 57.1 mttt -69.79 -14.32 62.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.687 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.619 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.08 -16.17 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.765 0.793 . . . . 0.0 109.496 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.619 ' O ' HG13 ' A' ' 65' ' ' ILE . 25.5 t70 -69.76 -42.08 74.33 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 171.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.81 ' HA ' HD12 ' A' ' 65' ' ' ILE . 16.3 t70 -74.09 -41.64 61.36 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.316 -173.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -61.68 -35.39 67.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.888 -1.506 . . . . 0.0 109.738 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.74 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 62' ' ' ASP . 63.1 mt -57.99 -39.84 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.792 172.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 66' ' ' ARG . 40.2 ttp180 -70.87 -42.0 70.65 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.486 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -76.34 -71.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.089 -174.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 100' ' ' ALA . 19.7 m-85 -71.61 -48.68 46.42 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.846 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.55 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 120.68 138.11 5.48 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.711 ' HB ' HG22 ' A' ' 65' ' ' ILE . 10.2 tp -57.97 -42.46 82.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.641 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 34.9 t70 -59.42 -49.81 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -59.55 -45.6 91.32 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.781 178.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.745 HG12 HD13 ' A' ' 104' ' ' ILE . 45.9 mt -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.343 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.16 -47.74 77.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.053 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.1 mt-10 -57.63 -45.05 85.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.298 1.047 . . . . 0.0 109.164 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.802 HG22 ' HE1' ' A' ' 80' ' ' MET . 1.4 mp -72.78 -53.46 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.594 -173.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -55.17 -52.7 42.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 121.206 0.527 . . . . 0.0 110.57 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.92 -45.35 71.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.791 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.28 81.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.579 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.802 ' HE1' HG22 ' A' ' 76' ' ' ILE . 23.1 mmt -48.7 -17.03 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.426 ' N ' ' HZ2' ' A' ' 112' ' ' TRP . 85.7 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.689 . . . . 0.0 109.746 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.529 ' HA ' HD13 ' A' ' 98' ' ' LEU . 57.8 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.486 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.4 tt0 -61.6 -36.79 81.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -39.88 71.06 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.48 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 95' ' ' GLN . 89.0 mt -54.23 -53.71 49.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.27 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.404 ' HB3' HG13 ' A' ' 63' ' ' VAL . 13.1 m-30 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.967 0.413 . . . . 0.0 111.384 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.89 -31.46 66.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.429 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.1 m -66.91 -36.17 81.64 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.735 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.1 mp -73.2 -53.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.886 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.27 99.78 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.255 -173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.745 HD13 HG12 ' A' ' 73' ' ' ILE . 4.6 tp -55.1 -45.8 77.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.786 0.327 . . . . 0.0 110.501 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.535 ' HA ' HD13 ' A' ' 108' ' ' ILE . 59.1 m -72.72 -24.19 60.95 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.601 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.62 74.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.85 0.357 . . . . 0.0 110.398 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -73.71 -29.32 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.72 0.772 . . . . 0.0 110.619 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.724 HG12 ' HG3' ' A' ' 80' ' ' MET . 42.1 mt -69.19 -46.93 76.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.584 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 34' ' ' ILE . 11.2 t -68.34 -30.81 69.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.98 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.556 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 18.1 pt-20 -78.83 -54.35 6.16 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -173.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -58.03 -25.89 61.75 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 111.813 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.67 ' CE3' HD12 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -66.32 -16.3 63.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.444 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.28 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.476 -0.392 . . . . 0.0 112.997 -174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.552 ' CE1' HG21 ' A' ' 41' ' ' ILE . 17.0 m-85 -52.65 -54.62 30.76 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -110.25 3.15 19.73 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.161 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm 63.96 81.47 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.67 HD12 ' CE3' ' A' ' 112' ' ' TRP . 11.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.804 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.727 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.2 ppp? . . . . . 0 CA--C 1.521 -0.144 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.707 ' O ' HD13 ' A' ' 137' ' ' ILE . 12.3 p -131.27 158.65 40.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -166.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.615 ' HA ' HD12 ' A' ' 137' ' ' ILE . 14.1 t70 -48.98 -33.18 10.48 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.781 0.675 . . . . 0.0 111.373 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.477 ' HB3' ' HG1' ' A' ' 133' ' ' THR . 12.5 t70 -67.81 -32.29 72.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.681 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.727 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.1 t-20 -78.16 -29.94 48.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -175.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 133' ' ' THR . 0.9 OUTLIER -59.12 -37.99 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.975 178.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.454 ' O ' HD12 ' A' ' 142' ' ' LEU . 25.7 m-80 -61.77 -45.73 92.62 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.873 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 136' ' ' ASN . 3.1 mp -61.85 -42.02 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.886 0.85 . . . . 0.0 108.997 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.64 -53.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.063 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.502 ' HA ' HD11 ' A' ' 20' ' ' ILE . 23.5 mm -50.3 -46.13 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.488 0.661 . . . . 0.0 109.605 175.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -67.1 -49.86 63.51 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.901 -175.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 68.8 t80 -57.24 -45.33 84.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 122.159 0.98 . . . . 0.0 110.783 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.699 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 71.6 mt -66.47 -42.97 86.7 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.826 -1.534 . . . . 0.0 110.363 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 19.7 mt-10 -53.26 -24.6 11.84 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 112.518 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 54.5 mmtt -47.48 -43.75 24.68 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.136 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -115.48 -12.03 11.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.004 0.907 . . . . 0.0 110.008 179.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.699 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -98.08 177.56 5.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.004 -178.445 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.679 -171.338 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.605 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.2 144.35 9.56 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.951 0.882 . . . . 0.0 113.155 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -100.9 -53.4 3.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.147 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.997 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -4.47 35.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.195 -174.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.707 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -49.16 -48.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.993 171.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.654 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 5.7 t70 -116.38 19.16 14.91 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.472 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.997 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.4 t0 -52.23 -36.37 52.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.358 -170.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.602 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 14.6 t70 73.01 -29.19 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.096 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.58 ' C ' HD13 ' A' ' 148' ' ' LEU . 26.4 pttm -116.73 170.48 8.56 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.78 -174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -83.43 144.25 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.483 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -168.43 1.5 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.96 0.886 . . . . 0.0 112.544 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -65.68 156.44 32.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.774 -1.557 . . . . 0.0 111.342 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' ILE . 78.6 mtm180 -55.75 -36.86 67.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.344 1.068 . . . . 0.0 109.375 168.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -75.64 -2.56 29.97 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.884 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.5 t -105.06 -21.33 13.29 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.115 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.606 ' HB ' HG21 ' A' ' 137' ' ' ILE . 24.9 mm -79.47 -5.71 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 122.792 1.282 . . . . 0.0 107.957 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.38 -56.41 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.009 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 4.1 m-20 -72.58 -30.84 64.74 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.523 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.548 HD21 HD22 ' A' ' 53' ' ' LEU . 31.2 tp -50.14 -48.97 53.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 112.6 -2.091 . . . . 0.0 112.833 -175.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 30' ' ' ILE . 5.9 mm -61.25 -34.7 61.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.063 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.38 -43.88 69.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.651 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.9 mm-40 -59.36 -51.98 67.58 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.596 177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.46 -56.07 21.63 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.109 0.481 . . . . 0.0 111.584 -174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' O ' HG22 ' A' ' 109' ' ' THR . 46.6 mm -56.06 -36.23 44.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.991 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 88.5 m -73.74 -34.97 64.98 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.916 175.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.583 ' O ' HG21 ' A' ' 40' ' ' VAL . 76.4 t90 -67.57 -38.9 84.76 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.264 -0.272 . . . . 0.0 111.476 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 110' ' ' GLU . 43.7 mmm-85 -58.92 -21.45 57.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.282 0.563 . . . . 0.0 109.954 175.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.2 t-20 -84.58 -44.87 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.169 177.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.667 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.71 -32.3 29.59 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.3 t -67.44 -24.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.032 0.92 . . . . 0.0 109.794 -176.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 110' ' ' GLU . 27.2 mm -93.42 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.506 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -52.33 26.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.1 m-85 -88.89 -7.7 55.6 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.761 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 54.56 51.14 14.55 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.308 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 48.2 mtpt -77.16 -142.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.524 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.576 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 4.3 t0 -134.53 145.31 48.62 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.633 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.4 tp -77.02 -28.73 16.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.988 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.41 HG21 HG22 ' A' ' 47' ' ' ILE . 30.0 p -83.33 -16.45 46.09 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.287 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.576 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 37.0 t -77.04 82.86 3.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.233 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -173.56 -162.16 0.15 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.918 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.654 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.62 -166.62 19.19 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.826 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.602 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.8 mtt180 -75.88 -43.45 45.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.49 0.662 . . . . 0.0 111.624 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.664 ' HG ' HD13 ' A' ' 144' ' ' LEU . 6.2 tt -51.49 -42.54 61.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.758 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.707 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.2 m-30 -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 60.5 mmtt -60.74 -32.2 71.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.461 0.648 . . . . 0.0 109.771 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -71.62 -42.56 67.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.248 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -55.38 -37.86 68.1 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.958 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 51.1 mtt -57.21 -33.95 68.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.175 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mttt -66.4 -18.85 65.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.031 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.626 ' O ' HG11 ' A' ' 63' ' ' VAL . 6.3 m-30 -78.65 -12.96 60.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.985 0.898 . . . . 0.0 109.77 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.566 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.2 t70 -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 171.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.681 ' HA ' HD11 ' A' ' 65' ' ' ILE . 21.6 t70 -78.36 -40.81 35.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.319 -2.219 . . . . 0.0 110.673 -171.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.626 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.7 -34.92 64.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.22 63.99 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.088 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 62' ' ' ASP . 50.0 mt -58.19 -36.72 58.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.381 172.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -69.7 -45.35 68.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.428 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.533 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -75.81 -71.94 0.35 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.467 -175.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -70.45 -41.69 72.48 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.479 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.568 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.15 142.57 10.21 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.876 175.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.62 -44.02 84.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.017 -0.592 . . . . 0.0 109.653 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 11.1 t70 -57.18 -52.58 64.74 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.587 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.688 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.31 -43.96 96.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.767 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 104' ' ' ILE . 30.3 mt -58.95 -45.83 91.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.601 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.18 -47.19 78.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.944 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 73.0 mt-10 -66.38 -40.92 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.85 HG22 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -67.52 -52.68 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.139 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.746 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.17 -50.5 45.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.928 0.87 . . . . 0.0 111.138 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -55.35 -46.36 76.43 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.367 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.91 66.79 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.953 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.85 ' HE3' HG22 ' A' ' 76' ' ' ILE . 14.4 mmt -44.07 -33.66 1.53 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.793 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.481 ' HB3' HG22 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.444 -0.75 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 -171.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.517 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.4 tt0 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.533 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 30.3 tt0 -58.55 -34.05 70.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 176.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.405 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 21.5 t -79.79 -32.81 40.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.521 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 95' ' ' GLN . 74.5 mt -57.88 -47.84 81.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.915 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.518 ' HB3' HG12 ' A' ' 63' ' ' VAL . 10.2 m-30 -71.25 -39.63 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.946 0.403 . . . . 0.0 111.73 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.43 -33.37 67.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.561 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -28.35 67.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.752 0.31 . . . . 0.0 111.163 -178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.94 -53.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.318 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.8 96.1 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.754 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.754 HD11 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.31 -40.72 82.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.62 -26.19 61.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -71.57 -41.5 68.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.965 0.412 . . . . 0.0 110.509 -176.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -63.57 -32.04 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 110.458 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.746 ' HA ' HG23 ' A' ' 77' ' ' VAL . 41.5 mt -71.48 -49.47 46.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.853 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 106' ' ' ALA . 9.2 t -62.6 -28.62 70.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.42 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mt-10 -65.93 -51.8 55.38 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -54.51 -31.68 56.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.618 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.619 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 54.8 m0 -72.31 -20.14 61.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.42 -47.14 87.41 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.04 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 41' ' ' ILE . 14.5 m-85 -53.46 -57.04 12.09 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.1 0.45 . . . . 0.0 112.142 -169.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.401 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.1 ptpt -110.66 6.81 21.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.744 ' HZ1' ' HB3' ' A' ' 116' ' ' LYS . 9.2 mtpm? 61.34 82.94 0.16 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.829 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.481 HG22 ' HB3' ' A' ' 81' ' ' SER . 7.6 mt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.602 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.804 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.507 ' O ' HD11 ' A' ' 137' ' ' ILE . 8.6 p -90.25 -176.05 4.71 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -169.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -82.33 -32.59 29.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.107 -2.182 . . . . 0.0 105.107 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.09 -21.12 60.82 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 111.615 -2.539 . . . . 0.0 110.2 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.804 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 22.0 t-20 -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -172.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.606 HG21 ' HB ' ' A' ' 26' ' ' ILE . 1.4 mp -57.65 -45.26 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.512 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 142' ' ' LEU . 33.3 m-80 -65.88 -42.4 90.36 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.053 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.07 -40.45 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.776 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -66.3 -50.12 64.75 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.47 -175.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 26.9 mm -50.65 -46.0 27.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -65.43 -48.36 73.03 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.963 -177.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 76.3 t80 -56.78 -46.58 81.4 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 122.171 0.986 . . . . 0.0 110.146 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.4 mt -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.701 -1.59 . . . . 0.0 110.313 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 22.2 mt-10 -53.23 -24.84 12.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 124.012 0.82 . . . . 0.0 112.496 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.548 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 22.2 mmtt -48.75 -37.45 18.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.764 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.548 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.9 -11.7 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.074 0.94 . . . . 0.0 110.095 176.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.691 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -100.41 178.5 4.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.736 -179.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.473 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 18.1 t-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.497 0.719 . . . . 0.0 110.107 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.512 0.196 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.615 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -54.02 142.58 24.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 174.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -106.49 -46.98 3.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.034 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.836 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -72.12 -7.78 50.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.276 -177.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.639 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -45.28 -47.16 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.15 171.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.599 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 16.8 t70 -116.03 19.27 15.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.378 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.836 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.1 t70 -54.36 -34.76 61.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 -172.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.663 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.3 t70 73.67 -25.4 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.459 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.545 ' C ' HD11 ' A' ' 148' ' ' LEU . 14.5 ptmm? -120.7 173.27 7.3 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 123.404 0.682 . . . . 0.0 111.07 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.65 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.9 tp -79.08 138.09 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.541 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.1 -168.34 1.55 Allowed 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 121.767 0.794 . . . . 0.0 111.392 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' A' ' 25' ' ' SER . 34.7 t -71.77 156.73 39.0 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.494 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 137' ' ' ILE . 96.9 mtt180 -58.05 -37.2 73.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.402 1.096 . . . . 0.0 109.064 169.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.04 -3.21 34.56 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.408 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 5.5 t -104.83 -21.5 13.33 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.846 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.506 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 23.4 mm -80.46 -5.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.664 1.221 . . . . 0.0 107.883 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 -56.3 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 112.884 -1.962 . . . . 0.0 109.83 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 98.9 m-20 -72.96 -31.88 64.85 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-O 122.319 1.057 . . . . 0.0 108.401 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 HD23 ' A' ' 53' ' ' LEU . 28.6 tp -50.22 -49.52 52.56 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.846 -174.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.519 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.8 mm -60.15 -34.5 57.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.8 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.95 -44.56 65.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.2 mm-40 -59.04 -51.94 67.89 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.777 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 83.5 t80 -60.6 -55.76 29.44 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.194 0.521 . . . . 0.0 111.186 -176.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.7 -30.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.903 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 96.2 m -76.94 -40.18 47.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG22 ' A' ' 40' ' ' VAL . 79.8 t90 -67.12 -39.07 86.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.283 -178.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -58.04 -23.72 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.182 0.515 . . . . 0.0 109.905 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 35' ' ' THR . 26.2 t-20 -85.24 -42.78 14.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.144 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.601 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 3.3 m-70 -54.45 -31.83 56.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 36' ' ' TRP . 14.1 t -69.0 -18.54 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 122.055 0.931 . . . . 0.0 109.567 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 114' ' ' TYR . 21.4 mm -96.63 -63.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.41 -1.268 . . . . 0.0 112.259 -176.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -52.21 -51.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.232 -178.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.519 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -90.42 -7.46 53.09 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.61 -177.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.8 t-20 48.13 54.16 10.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.576 -174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 58.2 mtpt -75.85 -142.03 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.025 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.691 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 6.7 m-20 -130.07 133.83 46.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 -177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.7 tp -73.27 -29.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.043 0.925 . . . . 0.0 110.401 176.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -76.99 -17.08 59.11 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.861 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.691 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 40.2 t -84.43 82.89 8.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.13 -1.85 . . . . 0.0 110.357 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.9 p -174.74 -169.45 0.42 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.599 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.35 -165.75 22.85 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.863 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.663 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 55.8 mtt180 -73.43 -44.15 58.85 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.473 0.654 . . . . 0.0 111.429 -172.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -51.36 -44.42 62.07 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.599 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.639 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.5 m-85 -69.77 -33.22 72.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 66.8 mmtt -59.93 -34.51 73.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.184 0.516 . . . . 0.0 109.839 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG2' HD23 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -72.14 -38.88 69.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.665 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -58.38 -37.82 76.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.394 174.14 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.622 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 48.5 mtt -58.84 -34.93 72.13 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.716 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -67.32 -15.61 63.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.739 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.03 -15.84 58.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.913 0.863 . . . . 0.0 109.536 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.548 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.6 t70 -69.29 -40.1 77.91 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 172.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.622 ' HA ' HD11 ' A' ' 65' ' ' ILE . 24.4 t70 -76.03 -40.55 53.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 112.426 -2.17 . . . . 0.0 110.335 -173.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -63.82 -34.32 67.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.773 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.69 60.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.139 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.648 HG21 ' HB ' ' A' ' 70' ' ' ILE . 55.0 mt -56.47 -37.78 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.795 0.807 . . . . 0.0 110.162 171.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -69.38 -44.03 72.34 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.47 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -80.76 -69.35 0.61 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.565 -175.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.17 -41.65 66.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.391 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.85 138.52 8.37 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.319 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.648 ' HB ' HG21 ' A' ' 65' ' ' ILE . 10.3 tp -57.15 -43.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 114.478 -0.861 . . . . 0.0 110.019 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.86 -52.07 63.95 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.494 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.88 -42.27 94.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.751 HG12 HD12 ' A' ' 104' ' ' ILE . 39.1 mt -59.09 -46.63 91.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.6 -48.18 69.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.98 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.68 -35.22 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.917 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.805 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -71.53 -52.73 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.726 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.901 HG21 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.51 -53.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.508 0.671 . . . . 0.0 111.823 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.38 -37.8 76.0 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.465 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -51.3 70.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.805 ' HE2' HG23 ' A' ' 76' ' ' ILE . 9.5 mmt -47.72 -34.72 8.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.253 175.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 117' ' ' ILE . 17.9 m . . . . . 0 N--CA 1.44 -0.926 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.915 -173.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.9 tt0 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.2 tt0 -58.62 -35.38 72.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.293 0.568 . . . . 0.0 110.027 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 t -80.19 -34.01 37.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.59 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 95' ' ' GLN . 71.3 mt -54.9 -54.01 48.07 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.112 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 12.8 m-30 -65.54 -38.71 90.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.73 -33.18 68.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 m -66.02 -34.05 77.2 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.895 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.0 mp -71.85 -53.83 18.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.455 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.87 -40.32 99.11 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.97 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.751 HD12 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -57.95 -40.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.4 t -72.33 -28.78 63.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.45 -37.54 71.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.269 0.556 . . . . 0.0 109.939 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -68.68 -28.75 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.145 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.901 ' HA ' HG21 ' A' ' 77' ' ' VAL . 42.4 mt -76.9 -52.48 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.5 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.2 t -58.12 -31.44 67.17 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.319 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HB2' HG13 ' A' ' 41' ' ' ILE . 6.0 pt-20 -72.51 -39.22 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.4 -34.54 58.12 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 111.279 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.502 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 42.6 m0 -71.29 -17.8 62.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.022 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.434 ' HA2' HG11 ' A' ' 42' ' ' VAL . . . -64.65 -47.1 87.25 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.207 -0.521 . . . . 0.0 113.921 -170.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 41' ' ' ILE . 17.3 m-85 -50.45 -61.19 2.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -170.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -110.88 9.54 22.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.54 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.603 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 63.27 78.36 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.507 0.67 . . . . 0.0 110.088 -175.403 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 81' ' ' SER . 9.5 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.47 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.766 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 3.9 ppp? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.715 ' O ' HD12 ' A' ' 137' ' ' ILE . 38.1 p -132.99 154.1 50.83 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.764 -169.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.702 ' HA ' HD11 ' A' ' 137' ' ' ILE . 9.9 t70 -48.27 -32.3 7.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.683 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.32 -32.51 71.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.392 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.766 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 11.2 t-20 -78.21 -29.67 48.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 133' ' ' THR . 0.8 OUTLIER -57.24 -39.01 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.545 178.216 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.524 ' O ' HD12 ' A' ' 142' ' ' LEU . 28.8 m-80 -65.9 -43.61 87.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.924 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.03 -41.69 92.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.648 0.737 . . . . 0.0 109.04 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.02 -51.56 63.61 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.817 -176.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.543 ' HA ' HD13 ' A' ' 20' ' ' ILE . 24.5 mm -51.05 -45.82 30.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-O 121.292 0.568 . . . . 0.0 109.476 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -65.75 -49.05 69.8 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.13 -176.428 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 76.8 t80 -55.93 -46.5 78.47 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.152 0.977 . . . . 0.0 110.273 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.702 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 39.1 mt -68.13 -45.86 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.057 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.4 mt-10 -53.18 -24.27 10.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 124.138 0.899 . . . . 0.0 112.773 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 71.8 mmtt -47.9 -38.87 17.38 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.665 171.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -119.76 -15.75 8.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.151 0.977 . . . . 0.0 110.21 176.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.702 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -94.19 175.5 6.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.734 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 25.8 t-20 . . . . . 0 C--O 1.249 1.058 0 O-C-N 125.148 1.53 . . . . 0.0 108.763 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 120.895 0.379 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.51 140.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -106.46 -44.08 4.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.862 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.645 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.29 -4.67 51.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.292 -177.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.684 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 p -41.25 -48.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.031 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.545 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 27.0 t70 -116.03 20.2 14.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.157 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.645 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 17.9 t70 -51.14 -38.54 52.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.18 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.773 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 26.7 t70 73.38 -18.98 0.35 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.201 172.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.638 ' C ' HD12 ' A' ' 148' ' ' LEU . 17.7 pttp -121.17 172.22 8.14 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.685 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 9.7 tp -78.39 135.39 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 53' ' ' LEU . 3.5 m -104.12 -169.71 1.67 Allowed 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 121.647 0.737 . . . . 0.0 111.822 -175.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -74.03 163.9 27.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.323 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 27' ' ' ILE . 18.2 mtp180 -51.68 -44.44 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.736 0.779 . . . . 0.0 109.141 167.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.02 -8.02 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.047 -171.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.5 -29.84 15.33 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.197 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.749 ' HB ' HG22 ' A' ' 137' ' ' ILE . 24.6 mm -74.22 -17.41 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-O 122.437 1.113 . . . . 0.0 108.506 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' ARG . 47.9 mm -64.93 -55.89 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.065 -1.879 . . . . 0.0 109.604 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.67 64.88 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.718 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD21 ' A' ' 53' ' ' LEU . 22.3 tp -51.1 -51.59 51.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.264 -2.243 . . . . 0.0 113.45 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.653 HG13 ' SD ' ' A' ' 132' ' ' MET . 3.9 mm -61.14 -32.63 53.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -174.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.53 -41.97 68.51 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.757 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.2 mm-40 -58.44 -50.49 73.52 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 176.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.78 -48.78 65.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.703 0.764 . . . . 0.0 110.76 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mm -58.82 -34.04 51.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.505 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -77.7 -31.28 52.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.39 0.614 . . . . 0.0 110.523 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.617 ' O ' HG21 ' A' ' 40' ' ' VAL . 67.3 t90 -68.2 -41.49 81.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.765 HH22 ' HB2' ' A' ' 61' ' ' ASP . 12.7 mmt85 -50.78 -31.87 18.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.339 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 27.0 t-20 -81.81 -44.02 17.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.466 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.792 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 38.1 m170 -61.8 -33.53 74.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.766 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 t -59.36 -28.77 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.898 0.856 . . . . 0.0 110.134 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG21 ' CE2' ' A' ' 114' ' ' TYR . 27.0 mm -85.84 -63.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.219 -174.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -47.47 -51.67 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.939 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 45' ' ' LYS . 4.9 m-85 -93.93 -8.0 41.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.22 -173.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.9 t-20 56.21 55.39 6.78 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.724 -171.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.792 ' HZ2' ' HB3' ' A' ' 39' ' ' HIS . 63.3 mttp -73.61 -139.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.505 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -135.83 146.07 47.12 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 177.004 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.2 tp -82.86 -27.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.257 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 p -83.78 -13.14 54.59 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.135 0.969 . . . . 0.0 108.556 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.1 t -82.43 82.52 7.84 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.571 -1.649 . . . . 0.0 110.706 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.6 p -171.86 -171.42 0.88 Allowed 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.568 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -106.55 -166.04 22.67 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.845 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.773 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 8.7 mmt180 -70.99 -41.95 70.27 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.103 0.561 . . . . 0.0 111.674 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD21 HD22 ' A' ' 29' ' ' LEU . 3.2 tt -51.94 -48.1 64.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.239 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 3.0 m-30 -68.18 -39.07 82.61 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 68.6 mmtt -50.91 -37.41 43.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.671 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.6 tp10 -72.25 -39.91 68.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -55.77 -37.0 67.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.826 172.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.506 ' HA ' HH21 ' A' ' 37' ' ' ARG . 48.9 mtt -58.55 -34.46 71.05 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.883 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 55.8 mttt -70.09 -15.21 62.95 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.5 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.617 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -78.07 -14.37 59.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.945 0.879 . . . . 0.0 109.759 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.765 ' HB2' HH22 ' A' ' 37' ' ' ARG . 8.0 t70 -68.26 -40.65 81.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 171.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.57 ' HA ' HD13 ' A' ' 65' ' ' ILE . 9.5 t70 -74.89 -43.05 56.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.27 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.2 p -60.9 -35.41 64.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.143 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.2 -43.78 60.78 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.218 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 61' ' ' ASP . 59.3 mt -56.51 -34.87 42.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.487 0.661 . . . . 0.0 110.481 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -71.65 -42.43 67.57 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 -73.05 0.37 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.62 -173.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.92 -39.22 76.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.623 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.589 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 107.31 144.83 11.72 Favored Glycine 0 N--CA 1.425 -2.049 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.935 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 HD22 ' A' ' 74' ' ' ASN . 10.5 tp -58.34 -44.76 89.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.888 -177.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.69 -53.51 56.87 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.143 0.497 . . . . 0.0 111.46 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.82 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.93 -41.74 95.26 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.74 -177.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.765 HG12 HD12 ' A' ' 104' ' ' ILE . 20.3 mt -59.55 -47.76 89.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.44 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.45 HD22 HG13 ' A' ' 70' ' ' ILE . 94.9 m-20 -55.64 -46.13 77.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.958 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -71.15 -39.42 71.96 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.811 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.833 HG22 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -67.72 -51.9 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.387 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.873 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.1 -51.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.639 0.733 . . . . 0.0 111.03 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.43 -40.15 74.26 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.159 -1.382 . . . . 0.0 112.341 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.36 73.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.376 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.833 ' HE3' HG22 ' A' ' 76' ' ' ILE . 10.3 mmt -45.63 -34.5 3.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.171 0.51 . . . . 0.0 111.206 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.675 ' HB3' HG23 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.437 -1.095 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.729 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HA ' HD13 ' A' ' 98' ' ' LEU . 51.7 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.36 -34.46 76.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -34.81 64.05 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 95' ' ' GLN . 91.9 mt -62.66 -44.09 97.14 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.847 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' A' ' 63' ' ' VAL . 10.7 m-30 -70.66 -38.7 73.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 111.577 174.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.511 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.5 -34.51 69.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.335 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -26.0 65.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.15 -54.71 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.293 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -65.56 -38.64 94.93 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.814 -175.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.765 HD12 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -58.73 -43.34 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 108' ' ' ILE . 34.6 t -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.35 -37.95 71.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HZ3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 mmtm -64.26 -36.89 85.56 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.429 0.633 . . . . 0.0 110.506 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.873 ' HA ' HG23 ' A' ' 77' ' ' VAL . 40.2 mt -66.37 -50.13 70.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.79 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 106' ' ' ALA . 8.3 t -63.8 -35.45 80.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.022 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 38' ' ' ASN . 14.6 pt-20 -74.95 -34.92 62.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.448 -177.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -54.45 -45.41 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 110.704 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.562 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.2 m0 -59.97 -18.86 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -55.65 -58.29 14.69 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 114.27 0.468 . . . . 0.0 114.27 -172.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.45 ' CE2' HG21 ' A' ' 41' ' ' ILE . 34.5 m-85 -55.2 -48.22 74.17 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -164.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.513 ' CG ' HG12 ' A' ' 117' ' ' ILE . 9.0 ptmm? -112.32 7.67 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.871 -0.732 . . . . 0.0 112.389 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 59.58 81.96 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 -173.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.9 mt . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.316 -171.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.653 ' SD ' HG13 ' A' ' 30' ' ' ILE . 24.5 ptm . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.559 ' O ' HD13 ' A' ' 137' ' ' ILE . 11.3 p -114.25 -177.18 3.07 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.766 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.5 p-10 -83.54 -30.1 27.35 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 139' ' ' ILE . 34.7 t70 -75.02 -19.4 60.07 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.565 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.497 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 19.3 t-20 -75.18 -29.73 60.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.766 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mp -59.33 -41.3 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.869 175.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.485 ' O ' HD13 ' A' ' 142' ' ' LEU . 35.6 m-80 -69.39 -44.42 71.49 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.991 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.6 mt -61.04 -39.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.618 0.723 . . . . 0.0 109.541 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.96 -51.76 65.65 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.712 -178.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.8 mm -51.39 -45.97 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -65.98 -49.46 67.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.19 -175.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.11 -46.05 86.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.042 0.925 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.671 HD23 ' HG2' ' A' ' 56' ' ' GLU . 63.2 mt -67.36 -40.74 85.82 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 25.8 mt-10 -51.39 -30.49 19.22 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.914 0.758 . . . . 0.0 112.075 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 30.6 mtpt -56.21 -35.94 67.87 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.357 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -117.06 -13.41 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.895 0.855 . . . . 0.0 109.894 -178.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.685 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -94.22 174.99 6.87 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 113.647 -1.615 . . . . 0.0 110.53 179.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.249 1.073 0 O-C-N 123.758 0.661 . . . . 0.0 110.185 -172.072 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 111.535 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.686 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.83 147.21 9.31 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.685 0.755 . . . . 0.0 112.49 176.093 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -113.25 -42.9 3.43 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.275 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.688 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -84.88 -5.78 59.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.982 -178.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.666 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -40.79 -49.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.326 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.557 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 25.2 t70 -115.74 19.94 14.91 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.645 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.688 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.6 t0 -53.19 -33.39 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.749 -172.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.581 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.1 t70 72.6 -25.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.047 0.842 . . . . 0.0 111.648 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.582 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.4 pttm -121.56 171.89 8.49 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.226 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.653 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.0 tp -80.74 139.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.03 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.04 -170.13 1.84 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 121.594 0.711 . . . . 0.0 111.646 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 26' ' ' ILE . 34.1 t -73.22 163.11 28.58 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.468 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.556 ' O ' HG23 ' A' ' 137' ' ' ILE . 78.3 mtm180 -56.45 -40.84 75.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.074 0.94 . . . . 0.0 109.29 168.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.02 -5.57 39.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.843 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.2 t -100.61 -25.95 13.99 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.588 -173.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.571 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 21.9 mm -79.96 -9.75 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' A' ' 137' ' ' ILE . 38.8 mm -67.7 -56.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.115 -1.857 . . . . 0.0 109.483 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.72 -32.18 63.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.678 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.796 HD23 HD21 ' A' ' 53' ' ' LEU . 21.1 tp -50.99 -50.1 58.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.053 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.56 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.6 mm -58.9 -35.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.992 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -42.47 71.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.571 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.686 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.5 mt-10 -58.65 -50.99 71.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.391 0.139 . . . . 0.0 111.103 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -64.45 -55.95 17.45 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.007 0.432 . . . . 0.0 111.793 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -57.41 -29.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.07 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.7 m -76.58 -36.94 57.27 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.385 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.608 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.5 t90 -67.24 -38.96 86.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.66 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.54 -30.22 29.48 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.09 -47.36 12.67 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.612 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 1.2 m-70 -52.08 -41.89 62.76 Favored 'General case' 0 CA--C 1.527 0.06 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.9 t -57.59 -26.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 122.078 0.942 . . . . 0.0 110.255 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 114' ' ' TYR . 22.4 mm -90.49 -62.91 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 CA-C-N 114.526 -1.216 . . . . 0.0 112.354 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -51.1 29.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.139 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.468 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.7 m-85 -87.4 -11.23 49.85 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.343 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.432 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.6 t-20 54.9 46.18 24.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.51 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.612 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 22.9 mtpp -72.46 -141.5 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.934 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.518 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 18.8 m-20 -133.03 138.21 46.71 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.332 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.2 tp -80.3 -27.76 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.437 1.113 . . . . 0.0 110.038 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.412 HG23 HG22 ' A' ' 47' ' ' ILE . 51.2 p -78.59 -16.44 57.4 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.574 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.518 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.7 t -89.44 82.89 6.38 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.222 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 p -169.65 -169.23 0.88 Allowed 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.813 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.557 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.34 -167.63 22.9 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.581 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 50.5 mtt180 -67.69 -47.04 70.54 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.454 0.645 . . . . 0.0 111.303 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.796 HD21 HD23 ' A' ' 29' ' ' LEU . 5.3 tt -51.25 -44.69 61.81 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.871 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.666 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-30 -69.9 -31.91 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 60.0 mmtt -62.08 -32.58 73.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.43 0.633 . . . . 0.0 109.761 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 79.4 mm-40 -71.23 -41.43 70.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.896 -177.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -55.41 -37.09 67.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.739 173.106 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.9 mtt -59.32 -31.89 69.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.137 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 53.6 mttt -74.74 -12.89 60.52 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.944 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.632 ' O ' HG11 ' A' ' 63' ' ' VAL . 7.4 m-30 -80.98 -14.54 57.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.026 0.917 . . . . 0.0 109.371 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.66 ' HB2' HH22 ' A' ' 37' ' ' ARG . 7.9 t70 -66.63 -41.05 88.93 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.64 ' HA ' HD12 ' A' ' 65' ' ' ILE . 10.2 t70 -75.27 -42.8 54.21 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.502 -2.136 . . . . 0.0 110.308 -173.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.4 p -60.71 -34.94 60.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.094 -1.412 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.96 61.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.244 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 62' ' ' ASP . 56.7 mt -58.46 -35.6 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.759 0.79 . . . . 0.0 110.459 171.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -70.92 -39.37 72.75 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.665 ' HE2' ' HG ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -83.47 -74.19 0.38 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.32 -175.433 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -71.64 -40.38 69.76 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.183 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 106.47 139.9 9.64 Favored Glycine 0 N--CA 1.43 -1.741 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.059 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.605 ' HB ' HG21 ' A' ' 65' ' ' ILE . 11.0 tp -57.04 -44.14 82.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.951 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -51.46 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.777 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -65.96 -40.41 91.27 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.112 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.771 HG12 HD13 ' A' ' 104' ' ' ILE . 43.8 mt -57.32 -47.37 84.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.057 0.456 . . . . 0.0 110.357 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -53.47 -46.85 70.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.939 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.57 -37.32 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.766 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -70.94 -53.9 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.629 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -53.94 -51.07 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.75 0.786 . . . . 0.0 111.613 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.12 -39.64 82.95 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.408 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.44 84.68 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.044 0.45 . . . . 0.0 110.486 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.766 ' HE2' HG23 ' A' ' 76' ' ' ILE . 11.1 mmt -48.9 -36.53 17.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.188 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.575 ' HB2' HG21 ' A' ' 117' ' ' ILE . 83.2 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 110.449 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.518 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.5 tt0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.52 -40.96 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.719 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.665 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 1.2 m -70.3 -36.21 74.19 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.467 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.0 mt -57.35 -54.21 49.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.205 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.516 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 11.4 m-30 -65.61 -38.96 90.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.917 0.389 . . . . 0.0 111.305 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.66 -32.82 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.481 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.6 m -67.13 -32.25 73.24 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' HD11 ' A' ' 102' ' ' ILE . 2.0 mp -71.78 -53.72 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.381 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.51 95.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.83 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.771 HD13 HG12 ' A' ' 73' ' ' ILE . 5.9 tp -59.61 -39.19 78.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.066 0.46 . . . . 0.0 109.839 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 108' ' ' ILE . 42.2 t -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.43 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.7 -35.57 75.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 111.039 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.513 ' HE2' ' OD1' ' A' ' 61' ' ' ASP . 24.1 mttm -73.99 -27.91 61.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.569 . . . . 0.0 111.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.787 ' HA ' HG22 ' A' ' 77' ' ' VAL . 51.8 mt -68.64 -47.54 76.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.897 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.3 t -66.0 -36.32 82.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.355 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.439 ' O ' HG21 ' A' ' 41' ' ' ILE . 10.1 pt-20 -70.79 -44.82 65.82 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -50.83 -36.09 35.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.93 0.492 . . . . 0.0 111.99 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.43 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 49.2 m0 -71.96 -19.37 61.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.7 98.34 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.171 -0.537 . . . . 0.0 114.115 -168.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 41' ' ' ILE . 18.7 m-85 -51.51 -61.35 2.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.085 0.442 . . . . 0.0 112.129 -170.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -111.6 15.74 20.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.618 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.3 71.8 0.54 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.421 0.629 . . . . 0.0 110.849 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.575 HG21 ' HB2' ' A' ' 81' ' ' SER . 17.5 mt . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.806 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.623 ' O ' HD11 ' A' ' 137' ' ' ILE . 20.0 p -126.28 155.49 41.84 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -168.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.841 ' HA ' HD13 ' A' ' 137' ' ' ILE . 6.9 t70 -48.62 -31.08 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.781 0.676 . . . . 0.0 111.069 169.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.0 -29.56 64.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.806 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 10.5 t-20 -78.25 -27.59 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.841 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.8 -37.23 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.711 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.509 ' O ' HD11 ' A' ' 142' ' ' LEU . 22.8 m-80 -63.65 -44.55 93.5 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.453 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.656 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.44 -43.37 96.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.371 -0.832 . . . . 0.0 108.8 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.673 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.7 -52.16 64.37 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.185 -1.371 . . . . 0.0 110.843 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 20' ' ' ILE . 27.3 mm -51.68 -43.68 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 109.899 176.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.15 -48.72 67.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.648 -175.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.516 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 73.0 t80 -56.51 -47.72 78.71 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.199 1.0 . . . . 0.0 110.312 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 39.9 mt -67.1 -42.42 84.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.335 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 14.7 mt-10 -55.23 -24.4 27.37 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 124.092 0.87 . . . . 0.0 112.525 -176.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 6.4 mmmm -47.74 -39.05 16.72 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.271 170.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -118.47 -11.46 9.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.795 0.807 . . . . 0.0 110.319 176.488 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -102.1 174.64 5.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.13 -1.395 . . . . 0.0 112.411 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 18.2 t-20 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 113.739 -1.573 . . . . 0.0 108.727 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 120.74 0.305 . . . . 0.0 111.534 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.557 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.71 141.61 16.43 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.736 0.779 . . . . 0.0 112.706 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -104.13 -42.31 5.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.524 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.971 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.02 -10.54 59.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.36 -177.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.7 p -47.25 -48.43 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.032 175.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 26.8 t70 -115.55 20.57 14.63 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.391 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.971 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 37.2 t0 -49.62 -40.76 40.31 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.069 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.607 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 8.3 t70 74.45 -19.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.956 -1.475 . . . . 0.0 111.522 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 148' ' ' LEU . 60.5 pttt -125.93 170.81 11.31 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.84 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.739 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 4.9 tp -86.51 138.63 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.145 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -162.51 0.81 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.234 0.54 . . . . 0.0 111.544 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.12 162.8 18.89 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.481 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.3 mtt180 -59.26 -38.81 81.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.168 0.985 . . . . 0.0 108.919 169.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' HA ' HG13 ' A' ' 27' ' ' ILE . 22.4 t70 -72.26 -4.68 31.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.943 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.73 -28.27 16.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -176.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.488 ' HB ' HG22 ' A' ' 137' ' ' ILE . 22.1 mm -78.37 -8.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.626 1.203 . . . . 0.0 108.041 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 24' ' ' ASP . 45.2 mm -72.2 -56.01 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.954 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 m-20 -72.59 -31.62 65.35 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 122.513 1.149 . . . . 0.0 108.441 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.772 HD23 HD22 ' A' ' 53' ' ' LEU . 33.7 tp -51.03 -50.16 59.13 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 112.544 -2.116 . . . . 0.0 112.952 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.86 -35.04 49.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.5 -47.42 60.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 4.2 mm-40 -58.51 -51.42 69.96 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.545 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 77.0 t80 -60.75 -56.7 18.06 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.628 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.36 -33.7 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 79.1 m -75.69 -35.94 60.17 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 111.019 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' HG22 ' A' ' 40' ' ' VAL . 73.6 t90 -67.26 -39.8 86.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.994 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 37' ' ' ARG . 16.9 mmm180 -58.97 -20.85 56.41 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.995 0.426 . . . . 0.0 110.247 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.5 t-20 -85.23 -46.09 11.37 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.264 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.675 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 11.6 m170 -52.57 -39.82 61.94 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 16.7 t -59.09 -24.05 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.732 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 114' ' ' TYR . 20.5 mm -93.36 -65.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.77 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -48.15 50.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.117 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.45 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.5 m-85 -89.6 -10.05 47.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.454 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.1 t-20 53.0 50.88 16.95 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.317 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.675 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 57.3 mtpt -75.34 -136.97 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.783 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -135.44 149.63 49.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.429 0.633 . . . . 0.0 110.723 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.8 tp -79.75 -29.8 13.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.403 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 47' ' ' ILE . 32.2 p -79.93 -15.32 57.54 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.828 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -74.74 82.19 2.09 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.13 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.478 ' SG ' ' HE2' ' A' ' 58' ' ' MET . 26.7 p 178.1 -173.47 0.14 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.422 -177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.547 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -115.26 -166.74 15.1 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.303 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.607 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.0 mmt180 -63.21 -47.44 82.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.254 0.622 . . . . 0.0 111.597 -171.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 HD23 ' A' ' 29' ' ' LEU . 6.3 tt -52.34 -47.64 65.95 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.919 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-85 -67.51 -32.62 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -174.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 55.4 mmtt -60.45 -35.11 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -72.5 -37.19 68.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.843 -176.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -55.69 -38.26 69.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 173.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 41.6 mtt -59.39 -34.6 72.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.863 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 47.6 mttt -73.31 -11.25 60.43 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.751 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.584 ' O ' HG11 ' A' ' 63' ' ' VAL . 8.9 m-30 -76.92 -13.51 59.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.107 0.956 . . . . 0.0 109.316 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.623 ' O ' HG13 ' A' ' 65' ' ' ILE . 5.9 t70 -69.01 -39.56 79.23 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.788 171.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.797 ' HA ' HD13 ' A' ' 65' ' ' ILE . 13.2 t70 -75.42 -43.72 48.37 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.711 -2.04 . . . . 0.0 110.69 -173.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.8 p -60.05 -34.43 56.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.032 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.6 64.09 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.966 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.797 HD13 ' HA ' ' A' ' 62' ' ' ASP . 53.4 mt -57.66 -35.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.151 0.501 . . . . 0.0 110.497 172.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -68.07 -49.32 62.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.46 0.648 . . . . 0.0 110.081 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -70.23 0.43 Allowed 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.66 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -71.74 -37.26 70.58 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.202 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.654 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 100.17 142.46 13.09 Favored Glycine 0 N--CA 1.431 -1.694 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.773 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -43.03 58.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 124.177 0.575 . . . . 0.0 109.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.86 -52.96 63.07 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.106 0.479 . . . . 0.0 111.197 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.824 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -78.61 -2.5 39.26 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.636 -176.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.654 HG13 ' O ' ' A' ' 69' ' ' GLY . 12.6 mt -90.4 -48.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 168.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -54.69 -47.74 73.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.619 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HG3' ' HZ2' ' A' ' 72' ' ' LYS . 7.9 mm-40 -63.28 -42.19 99.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.111 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.872 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -72.7 -53.5 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.477 -175.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -53.22 -52.38 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.76 0.79 . . . . 0.0 111.626 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.83 -39.63 85.72 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.432 -1.258 . . . . 0.0 112.328 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.54 96.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.945 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.872 ' HE2' HG23 ' A' ' 76' ' ' ILE . 18.4 mmt -42.68 -41.25 3.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.328 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.648 ' HB2' ' CG2' ' A' ' 117' ' ' ILE . 71.2 p . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.367 -170.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.0 tt0 . . . . . 0 C--O 1.234 0.254 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.12 -40.1 92.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.847 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -37.9 76.35 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.047 0.451 . . . . 0.0 109.837 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 95' ' ' GLN . 92.5 mt -58.76 -54.14 50.5 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.337 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.481 ' HB3' HG12 ' A' ' 63' ' ' VAL . 10.1 m-30 -62.76 -39.78 95.25 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -33.52 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.838 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -67.77 -33.16 74.29 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.434 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.0 mp -71.38 -54.84 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.348 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -64.07 -40.48 98.18 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.857 -0.687 . . . . 0.0 114.123 -174.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.65 HD12 HG12 ' A' ' 73' ' ' ILE . 6.3 tp -57.93 -41.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 109.93 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.791 ' HA ' HD13 ' A' ' 108' ' ' ILE . 74.8 m -73.91 -25.52 60.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.321 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.43 -35.24 73.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.332 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.41 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 9.0 mmtm -63.04 -30.26 71.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.453 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.804 HG12 ' HG3' ' A' ' 80' ' ' MET . 57.8 mt -75.71 -47.88 31.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.286 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.9 t -63.05 -36.62 84.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.069 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' ILE . 9.6 pt-20 -71.89 -42.58 66.62 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.147 -0.346 . . . . 0.0 111.892 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -55.85 -33.06 64.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.833 0.349 . . . . 0.0 111.741 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -71.24 -19.85 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.9 79.0 Favored Glycine 0 C--O 1.225 -0.419 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.978 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 41' ' ' ILE . 17.9 m-85 -52.85 -58.77 5.82 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -170.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG3' HG12 ' A' ' 117' ' ' ILE . 23.7 pttm -112.24 12.48 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 61.59 80.33 0.22 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.312 0.577 . . . . 0.0 110.957 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.648 ' CG2' ' HB2' ' A' ' 81' ' ' SER . 3.5 mt . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -175.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.731 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 137' ' ' ILE . 36.9 p -139.34 154.8 47.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.415 -174.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.61 ' HA ' HD11 ' A' ' 137' ' ' ILE . 16.1 t70 -48.38 -31.64 6.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.589 0.709 . . . . 0.0 110.978 165.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 139' ' ' ILE . 30.2 t70 -71.68 -26.99 62.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.585 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.731 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 10.7 t-20 -79.78 -33.62 40.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.22 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 133' ' ' THR . 0.8 OUTLIER -56.69 -39.55 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 179.467 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.545 ' O ' HD12 ' A' ' 142' ' ' LEU . 20.5 m-80 -64.45 -42.93 95.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.792 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.8 mt -63.46 -40.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.584 0.706 . . . . 0.0 109.625 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.77 -50.98 66.88 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.126 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.543 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.8 mm -51.13 -47.07 32.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -65.57 -48.94 70.66 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.096 -175.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -56.49 -47.69 78.72 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.962 0.887 . . . . 0.0 110.565 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.764 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 54.9 mt -67.8 -41.27 83.4 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.074 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.5 mt-10 -53.3 -24.15 10.98 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.101 0.876 . . . . 0.0 112.813 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.598 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 13.3 mmmm -48.28 -39.09 20.5 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.885 171.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.598 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.32 -19.81 7.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.446 1.117 . . . . 0.0 110.157 178.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.764 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -83.78 176.04 9.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.725 175.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.0 -170.158 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.2 0 CA-C-O 120.94 0.4 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.628 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -52.91 145.89 11.85 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.656 0.741 . . . . 0.0 112.331 174.208 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -108.39 -48.53 3.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.398 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.77 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -77.34 -6.92 55.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.021 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.648 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -44.22 -47.36 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.43 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.597 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 18.0 t70 -115.67 17.89 16.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.304 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.77 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.0 t70 -53.58 -38.05 63.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.705 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.785 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 74.31 -18.53 0.41 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.452 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.606 ' C ' HD11 ' A' ' 148' ' ' LEU . 19.5 pttp -122.72 172.92 8.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 C-N-CA 123.439 0.696 . . . . 0.0 111.241 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.739 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -81.28 135.72 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.175 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -102.86 -169.79 1.71 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.562 0.696 . . . . 0.0 111.237 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -71.79 168.45 17.8 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.627 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.611 ' O ' HG22 ' A' ' 137' ' ' ILE . 90.7 mtt180 -55.49 -44.33 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.018 0.913 . . . . 0.0 109.247 168.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.69 -5.78 42.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.245 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.3 t -99.3 -24.27 14.89 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.692 -173.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.5 ' HB ' HG13 ' A' ' 137' ' ' ILE . 21.0 mm -81.21 -6.69 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 122.586 1.184 . . . . 0.0 107.918 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.1 mm -72.58 -55.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-N 113.134 -1.848 . . . . 0.0 110.25 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -73.05 -30.71 63.92 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 122.357 1.075 . . . . 0.0 108.479 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.576 HD23 HD23 ' A' ' 53' ' ' LEU . 24.1 tp -50.65 -49.35 57.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 112.464 -2.153 . . . . 0.0 113.192 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 30' ' ' ILE . 4.1 mm -59.69 -35.7 61.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.065 -176.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.5 -42.04 68.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -57.97 -50.7 72.48 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.809 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -65.48 -56.97 9.5 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.9 -174.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -55.23 -33.8 31.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.819 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 m -77.96 -34.08 51.24 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.112 -0.368 . . . . 0.0 110.913 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.8 t90 -66.75 -36.57 82.74 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.417 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.85 -23.3 52.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.258 174.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -84.57 -49.59 8.45 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.63 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 15.8 m-70 -52.33 -33.94 44.91 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.5 t -67.55 -23.07 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 122.179 0.99 . . . . 0.0 109.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.599 HG22 ' CE1' ' A' ' 114' ' ' TYR . 26.4 mm -92.2 -61.21 2.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.085 -175.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG11 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.18 -49.2 41.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.418 -179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.9 m-85 -88.53 -12.2 43.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.35 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.4 t-20 51.55 58.16 5.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.375 -171.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 5.4 mtpm? -75.76 -138.3 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.696 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 24.4 m-20 -134.63 137.17 43.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.542 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.9 tp -70.65 -28.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 122.275 1.036 . . . . 0.0 109.836 172.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.3 p -75.26 -17.03 60.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.997 -1.456 . . . . 0.0 108.919 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 30.3 t -84.44 82.22 8.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.061 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.3 p -176.06 -170.16 0.36 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.737 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.597 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -112.75 -167.71 17.23 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.858 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.785 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mtt180 -67.79 -44.61 76.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.537 0.684 . . . . 0.0 111.343 -171.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.576 HD23 HD23 ' A' ' 29' ' ' LEU . 3.9 tt -52.0 -46.26 64.84 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.098 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.2 -32.36 72.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -175.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 49.4 mmtt -63.07 -33.87 76.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HG2' HD22 ' A' ' 144' ' ' LEU . 5.1 tp10 -72.72 -36.63 67.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.671 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -59.34 -38.18 79.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.767 173.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 42.6 mtt -57.34 -33.26 67.56 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.688 0.756 . . . . 0.0 109.82 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 59.3 mttt -71.18 -13.0 61.78 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.175 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.683 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -83.12 -14.34 53.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.881 0.848 . . . . 0.0 109.635 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' HG13 ' A' ' 65' ' ' ILE . 20.1 t70 -67.9 -38.92 83.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 172.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.713 ' HA ' HD11 ' A' ' 65' ' ' ILE . 15.7 t70 -76.6 -41.39 46.33 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.048 -2.342 . . . . 0.0 110.532 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -62.46 -31.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 100' ' ' ALA . . . -72.96 -44.97 60.5 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.212 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 62' ' ' ASP . 48.2 mt -56.62 -35.32 44.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.694 0.759 . . . . 0.0 110.411 172.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -66.98 -44.71 79.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.794 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.6 OUTLIER -82.87 -69.73 0.61 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.687 -171.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.092 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.59 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 105.76 142.08 10.89 Favored Glycine 0 N--CA 1.43 -1.708 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.123 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.425 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.3 tp -58.46 -44.78 89.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 114.883 -0.658 . . . . 0.0 110.325 -174.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.33 -51.68 68.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 120.777 0.323 . . . . 0.0 111.459 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 1.5 mmpt? -63.85 -42.96 97.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.415 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.65 HG12 HD12 ' A' ' 104' ' ' ILE . 31.3 mt -56.48 -47.16 82.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 177.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -53.26 -48.29 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.1 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.74 -39.64 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.596 0.712 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.783 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.0 OUTLIER -71.51 -52.51 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.387 -175.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 1.008 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.0 p -51.62 -52.6 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.751 0.786 . . . . 0.0 111.308 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.75 -32.67 71.96 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.04 -1.437 . . . . 0.0 112.302 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -52.15 64.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.94 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.783 ' HE2' HG23 ' A' ' 76' ' ' ILE . 9.6 mmt -48.53 -30.74 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.388 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.797 ' HB3' HG21 ' A' ' 117' ' ' ILE . 20.2 m . . . . . 0 N--CA 1.44 -0.943 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.963 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.485 ' HA ' HD22 ' A' ' 98' ' ' LEU . 51.4 tt0 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.858 0.361 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.77 -46.54 81.41 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.461 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t -65.21 -34.51 78.55 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.319 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.533 HD11 ' ND2' ' A' ' 136' ' ' ASN . 4.3 mm? -56.45 -42.01 77.44 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -73.56 -39.04 64.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.864 0.364 . . . . 0.0 111.914 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -56.89 -40.48 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.347 -174.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.572 ' HA ' HG21 ' A' ' 104' ' ' ILE . 5.3 m -66.95 -21.62 65.97 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.07 -52.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.712 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.63 -39.33 95.36 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.358 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.65 HD12 HG12 ' A' ' 73' ' ' ILE . 4.9 tp -59.96 -37.14 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.6 t -73.16 -28.57 62.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -72.55 -37.96 68.11 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.254 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HZ1' ' HB2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -70.36 -30.13 66.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.601 0.715 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 1.008 ' HA ' HG23 ' A' ' 77' ' ' VAL . 31.7 mt -71.58 -50.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.151 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 t -63.74 -35.9 82.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.02 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.553 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.8 pt-20 -68.75 -39.05 80.49 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 122.165 -0.334 . . . . 0.0 111.82 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -56.65 -30.77 63.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.404 0.621 . . . . 0.0 111.053 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.412 ' HB3' ' O ' ' A' ' 117' ' ' ILE . 51.7 m0 -72.39 -19.31 61.63 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.436 ' HA2' HG11 ' A' ' 42' ' ' VAL . . . -71.21 -45.42 49.1 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.083 -0.579 . . . . 0.0 114.205 -169.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.599 ' CE1' HG22 ' A' ' 41' ' ' ILE . 17.0 m-85 -57.19 -59.1 5.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.238 0.519 . . . . 0.0 111.878 -170.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HE2' HD12 ' A' ' 117' ' ' ILE . 19.8 pttm -109.61 22.08 16.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? 60.09 69.31 0.71 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.912 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.797 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.6 mt . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.731 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.726 ' HE3' ' HB3' ' A' ' 136' ' ' ASN . 3.2 ppp? . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 135' ' ' ASP . 1.5 p -142.29 165.8 26.44 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.97 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.885 ' HA ' HD12 ' A' ' 137' ' ' ILE . 2.0 p-10 -50.01 -27.46 5.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.909 171.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 133' ' ' THR . 8.4 t70 -69.64 -32.5 71.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.726 ' HB3' ' HE3' ' A' ' 132' ' ' MET . 12.7 t-20 -79.07 -28.01 43.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.256 -175.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 134' ' ' ASP . 1.3 mp -54.06 -39.25 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.772 175.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.2 m-80 -67.04 -41.35 86.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.771 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.3 mp -61.16 -41.6 90.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.56 -51.81 60.91 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.845 -175.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.523 ' HA ' HD11 ' A' ' 20' ' ' ILE . 28.5 mm -51.52 -42.9 30.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.959 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.82 -49.33 66.13 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.651 -175.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 69.9 t80 -57.57 -47.22 82.68 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.942 0.877 . . . . 0.0 110.534 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.611 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 52.7 mt -66.1 -41.35 90.74 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.652 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.5 mt-10 -53.47 -25.3 15.8 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.017 0.823 . . . . 0.0 112.465 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.419 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 28.1 mmtp -48.66 -37.14 17.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.196 171.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.419 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.38 -10.44 7.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 122.198 0.999 . . . . 0.0 110.205 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.739 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -101.14 178.83 4.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.522 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.9 t-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.149 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.788 0 CA-C-O 120.593 0.235 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.761 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.92 138.47 24.4 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.508 178.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -107.46 -42.22 4.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.668 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -82.45 -0.84 48.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.122 -179.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.633 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -44.62 -62.49 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.009 168.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -100.47 20.85 14.15 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.553 0.692 . . . . 0.0 109.657 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 18.0 t70 -53.5 -36.35 61.63 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.713 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 73.93 -21.8 0.26 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.824 174.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.535 ' C ' HD13 ' A' ' 148' ' ' LEU . 20.8 pttp -122.61 172.34 8.47 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.466 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.5 tp -76.22 133.77 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.513 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.21 -169.3 1.74 Allowed 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 121.7 0.762 . . . . 0.0 111.922 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.7 t -72.42 161.89 30.2 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.003 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.585 ' O ' HG22 ' A' ' 137' ' ' ILE . 46.1 mtm180 -56.3 -40.52 74.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.241 1.02 . . . . 0.0 109.112 168.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.07 -6.2 44.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.107 -1.406 . . . . 0.0 110.629 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.0 t -106.22 -13.84 15.3 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.43 -170.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 18.6 mm -89.22 -5.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.31 -54.89 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.584 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.3 m-20 -71.72 -28.15 63.49 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.985 -1.462 . . . . 0.0 108.577 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 25' ' ' SER . 24.2 tp -61.3 -46.27 90.99 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.169 -169.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mm -59.75 -28.99 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.79 -43.33 55.31 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.761 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.9 mm-40 -58.63 -51.46 69.81 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.929 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.16 -56.82 14.94 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 120.763 0.316 . . . . 0.0 111.109 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mm -51.54 -41.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.534 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 53.7 m -70.98 -36.59 72.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.737 176.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.601 ' O ' HG22 ' A' ' 40' ' ' VAL . 86.6 t90 -67.82 -37.71 82.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.117 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.09 -23.17 61.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.193 0.52 . . . . 0.0 109.653 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.7 t-20 -86.53 -42.36 13.59 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -54.25 -32.85 57.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.529 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.936 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 17.2 t -70.92 -20.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 122.146 0.974 . . . . 0.0 109.835 -177.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' A' ' 114' ' ' TYR . 23.9 mm -95.64 -61.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 114.482 -1.236 . . . . 0.0 112.684 -174.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -52.28 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.277 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.8 m-85 -87.38 -9.21 55.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.848 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.5 t-20 54.84 49.33 18.08 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.969 -172.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.936 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 15.9 mtpt -67.7 -167.13 0.06 Allowed 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.663 175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 5.1 t0 -104.44 139.81 38.84 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.811 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 47' ' ' ILE . 2.5 tp -71.81 -28.04 29.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.964 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 46' ' ' ASP . 18.1 p -84.45 -12.74 53.79 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.939 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 30.8 t -76.0 81.7 2.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.163 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.621 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 34.9 t 175.33 -173.43 0.08 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.912 0.885 . . . . 0.0 109.014 175.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.652 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -88.94 -146.71 13.45 Favored Glycine 0 C--O 1.217 -0.963 0 CA-C-O 121.847 0.693 . . . . 0.0 114.724 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.713 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.4 mmt180 -84.45 -45.22 12.91 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 123.493 0.717 . . . . 0.0 111.516 171.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.586 HD21 HD22 ' A' ' 29' ' ' LEU . 5.1 tt -49.08 -48.98 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.626 -170.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.652 ' HE1' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.77 -37.43 86.3 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -170.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.517 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 58.3 mmtt -45.13 -39.44 6.04 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.203 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 144' ' ' LEU . 11.2 tp10 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.33 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -58.18 -37.31 74.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.208 172.199 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.415 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 50.1 mtt -56.0 -32.54 64.05 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.841 0.829 . . . . 0.0 110.267 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 52.8 mttt -75.16 -9.23 58.35 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.852 -176.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.686 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.9 m-30 -86.34 -17.1 35.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.09 0.948 . . . . 0.0 109.156 172.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 9.5 t70 -69.34 -38.1 77.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.683 ' HA ' HD13 ' A' ' 65' ' ' ILE . 25.5 t70 -78.86 -39.74 34.44 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.127 -2.306 . . . . 0.0 110.377 -174.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -62.45 -33.41 59.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.719 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.05 61.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.315 -1.312 . . . . 0.0 111.105 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.683 HD13 ' HA ' ' A' ' 62' ' ' ASP . 52.7 mt -58.08 -35.57 53.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.704 0.764 . . . . 0.0 109.966 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -69.76 -37.56 76.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.473 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' CD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -89.61 -72.51 0.55 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.764 -172.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -67.58 -41.25 84.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.441 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.567 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 109.76 142.33 9.48 Favored Glycine 0 N--CA 1.427 -1.959 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.889 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.0 tp -56.34 -44.82 80.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 O-C-N 124.4 0.706 . . . . 0.0 109.777 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 12.4 t70 -56.68 -52.74 63.77 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.344 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.778 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.44 -42.9 99.8 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.425 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.77 HG12 HD12 ' A' ' 104' ' ' ILE . 36.5 mt -60.47 -46.31 95.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.663 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -53.08 -48.71 67.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.827 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 20.5 mt-10 -70.92 -34.69 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.805 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.773 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.2 mp -70.46 -52.8 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.779 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.643 HG21 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.32 -51.14 51.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.726 0.774 . . . . 0.0 111.691 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -56.62 -40.6 75.64 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.078 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.67 73.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.773 ' HE1' HG23 ' A' ' 76' ' ' ILE . 10.2 mmt -48.54 -31.87 7.15 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 175.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 117' ' ' ILE . 22.1 m . . . . . 0 N--CA 1.441 -0.88 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.882 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HA ' HD13 ' A' ' 98' ' ' LEU . 43.6 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.07 0.462 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 38.4 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.662 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -72.7 -36.89 67.95 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 95' ' ' GLN . 82.2 mt -61.22 -51.89 67.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.9 m-30 -62.56 -38.35 89.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.154 0.502 . . . . 0.0 110.706 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.09 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -65.84 -33.11 75.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.1 mp -71.25 -53.91 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.397 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.638 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -64.81 -39.87 96.92 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.911 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.77 HD12 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.11 -37.47 68.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.56 -30.51 64.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.206 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.71 -38.57 73.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.286 0.234 . . . . 0.0 110.54 -175.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.06 -30.67 70.47 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.552 0.692 . . . . 0.0 110.333 -179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.643 ' HA ' HG21 ' A' ' 77' ' ' VAL . 38.4 mt -77.38 -51.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 106' ' ' ALA . 9.8 t -60.98 -38.82 87.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.811 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 14.5 pt-20 -70.95 -39.41 72.61 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.151 -0.343 . . . . 0.0 111.183 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -58.9 -28.01 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.22 0.533 . . . . 0.0 110.673 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.525 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 43.9 m0 -77.26 -20.95 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.435 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -63.67 -40.87 99.04 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 114.213 0.445 . . . . 0.0 114.213 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.572 ' CE1' HG22 ' A' ' 41' ' ' ILE . 17.1 m-85 -55.56 -57.07 13.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.306 0.553 . . . . 0.0 112.106 -169.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HG3' HG12 ' A' ' 117' ' ' ILE . 60.0 pttt -111.45 18.56 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.68 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 59.8 59.55 2.46 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.65 0.738 . . . . 0.0 110.196 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 81' ' ' SER . 16.4 mt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.924 -172.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.807 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.626 ' O ' HD11 ' A' ' 137' ' ' ILE . 44.4 p -139.71 155.4 47.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.585 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.814 ' HA ' HD13 ' A' ' 137' ' ' ILE . 4.6 t70 -48.3 -32.66 7.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.443 0.639 . . . . 0.0 110.693 166.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.48 -33.26 75.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.341 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.807 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 9.4 t-20 -79.14 -27.88 42.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.06 -174.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.814 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -57.1 -38.66 61.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.703 177.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.542 ' O ' HD12 ' A' ' 142' ' ' LEU . 25.2 m-80 -65.38 -42.74 92.35 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.465 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.24 -42.09 93.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.661 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.18 -52.75 61.12 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.059 -176.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 27.9 mm -51.1 -43.46 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.934 175.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.18 -48.79 66.9 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.623 -175.657 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.422 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 57.1 t80 -57.66 -47.49 82.13 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.018 0.914 . . . . 0.0 110.351 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 57.7 mt -65.65 -41.71 92.23 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.639 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' A' ' 20' ' ' ILE . 12.9 mt-10 -53.7 -24.82 15.84 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.197 0.935 . . . . 0.0 112.639 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.626 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 18.8 mmmt -48.91 -40.74 31.1 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.353 170.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.626 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -114.71 -27.95 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.343 1.068 . . . . 0.0 109.762 178.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.654 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -84.42 176.24 8.8 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.228 -1.805 . . . . 0.0 110.015 178.055 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.6 ' HB2' HG21 ' A' ' 20' ' ' ILE . 52.9 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 119.005 -0.521 . . . . 0.0 109.939 -168.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.72 145.96 8.62 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.695 0.759 . . . . 0.0 112.642 176.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -107.76 -45.97 3.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.389 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.634 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -82.86 -3.82 57.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.965 -177.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.658 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.9 p -41.87 -49.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.055 173.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.619 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 37.3 t70 -114.84 19.82 15.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.867 0.867 . . . . 0.0 110.588 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.634 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.9 t70 -53.34 -35.35 60.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.293 -173.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.667 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER 73.09 -28.95 0.2 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.754 177.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.627 ' C ' HD13 ' A' ' 148' ' ' LEU . 54.5 pttt -113.69 171.53 7.52 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.45 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.651 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.6 tp -80.99 155.93 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.6 -168.15 1.73 Allowed 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 118.384 0.538 . . . . 0.0 110.097 -170.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -67.05 157.12 34.3 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.93 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.24 -37.72 72.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.09 0.947 . . . . 0.0 109.46 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.53 -2.36 31.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.194 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.5 t -103.31 -10.26 18.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.828 -173.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.479 HG21 HD21 ' A' ' 29' ' ' LEU . 22.0 mm -88.05 -7.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -70.78 -55.62 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 112.845 -1.979 . . . . 0.0 109.967 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.81 -36.27 70.21 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.084 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.833 HD23 HD22 ' A' ' 53' ' ' LEU . 20.1 tp -50.7 -52.63 38.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 112.501 -2.136 . . . . 0.0 113.757 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.695 HG13 ' SD ' ' A' ' 132' ' ' MET . 2.5 mm -61.37 -28.76 44.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.307 0.575 . . . . 0.0 110.458 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.41 -44.14 46.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.259 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -58.41 -50.58 73.17 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 176.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -61.73 -58.0 9.72 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.946 0.403 . . . . 0.0 111.203 -169.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.663 HG23 HG21 ' A' ' 109' ' ' THR . 43.3 mm -48.2 -42.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.695 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -69.31 -35.67 76.22 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.117 0.484 . . . . 0.0 110.751 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.637 ' O ' HG22 ' A' ' 40' ' ' VAL . 64.9 t90 -67.22 -39.94 86.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.506 HH21 ' CD ' ' A' ' 110' ' ' GLU . 38.8 mmm-85 -54.55 -27.41 38.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.605 0.566 . . . . 0.0 110.333 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.1 t-20 -85.73 -44.4 12.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.703 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 5.6 m-70 -54.46 -35.1 62.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.244 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.752 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 18.8 t -60.08 -30.95 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 121.754 0.787 . . . . 0.0 110.522 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 110' ' ' GLU . 27.1 mm -84.39 -62.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.31 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.4 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -47.98 -50.33 10.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.749 -178.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.549 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -90.67 -8.37 50.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.704 -175.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 54.78 52.27 12.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.19 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.752 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 96.2 mttt -76.22 -145.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.883 177.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.48 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 10.7 m-20 -134.85 134.47 40.81 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.147 0.498 . . . . 0.0 110.602 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.457 HD11 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tp -78.64 -31.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.681 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.404 HG23 HG21 ' A' ' 47' ' ' ILE . 43.2 p -75.79 -17.18 59.96 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.587 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -91.19 82.11 5.52 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 113.091 -1.868 . . . . 0.0 110.836 -175.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -165.94 -162.07 0.53 Allowed 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.342 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.619 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -99.88 -173.46 30.47 Favored Glycine 0 N--CA 1.429 -1.831 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.769 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.667 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 57.1 mtp180 -71.46 -42.55 68.02 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.738 0.78 . . . . 0.0 111.093 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.833 HD22 HD23 ' A' ' 29' ' ' LEU . 5.1 tt -50.88 -43.07 59.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 113.608 -1.633 . . . . 0.0 110.409 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.657 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.8 m-30 -73.59 -40.47 63.84 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.991 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 24.5 mmtp -50.65 -33.95 24.43 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.868 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG2' HD22 ' A' ' 144' ' ' LEU . 8.7 tp10 -72.04 -40.7 68.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.51 -37.03 69.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 172.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 55' ' ' LYS . 50.8 mtt -57.41 -33.05 67.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.308 0.575 . . . . 0.0 110.292 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 59.5 mttt -70.27 -17.48 63.11 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.908 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.605 ' O ' HG11 ' A' ' 63' ' ' VAL . 8.0 m-30 -77.01 -15.57 59.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.728 0.775 . . . . 0.0 109.764 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.3 t70 -69.47 -39.53 77.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.787 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.5 t70 -78.9 -39.91 33.64 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.533 -2.121 . . . . 0.0 110.644 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.605 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.6 p -60.4 -35.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.438 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.13 63.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.929 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' ' 62' ' ' ASP . 69.6 mt -56.62 -36.33 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.172 0.511 . . . . 0.0 111.041 172.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.3 ttt-85 -72.18 -48.11 45.7 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.424 0.63 . . . . 0.0 110.427 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.665 ' HE2' ' HG ' ' A' ' 97' ' ' SER . 0.9 OUTLIER -68.44 -72.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.766 -174.411 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.63 -39.53 57.67 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.099 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 108.47 144.07 10.8 Favored Glycine 0 N--CA 1.428 -1.853 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.059 174.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -56.47 -43.45 77.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 O-C-N 124.295 0.644 . . . . 0.0 109.568 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.9 t70 -56.54 -53.62 55.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.371 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.21 -44.1 92.96 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.409 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.758 HG12 HD11 ' A' ' 104' ' ' ILE . 37.0 mt -58.57 -46.46 90.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.214 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 23.3 mt-10 -72.67 -39.03 67.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.284 0.564 . . . . 0.0 110.543 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.758 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.1 mp -66.08 -52.58 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.873 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.861 HG21 ' HA ' ' A' ' 108' ' ' ILE . 7.6 p -51.63 -50.33 31.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 122.088 0.947 . . . . 0.0 111.117 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.01 -41.95 79.45 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.486 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 -51.97 67.53 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.44 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.758 ' HE1' HG23 ' A' ' 76' ' ' ILE . 8.4 mmt -48.7 -28.75 3.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 111.063 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.501 ' HB3' ' CG2' ' A' ' 117' ' ' ILE . 30.7 m . . . . . 0 N--CA 1.437 -1.082 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.53 ' HA ' HD11 ' A' ' 98' ' ' LEU . 49.3 tt0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.79 -45.23 70.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.703 176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.665 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 1.4 m -70.04 -37.05 75.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 95' ' ' GLN . 85.7 mt -56.9 -54.59 44.79 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.615 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.465 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.3 m-30 -63.11 -40.96 99.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.401 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.92 -33.76 69.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.938 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.32 -51.73 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.91 -40.72 97.43 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.899 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.758 HD11 HG12 ' A' ' 73' ' ' ILE . 5.5 tp -57.44 -44.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.436 ' HA ' HD11 ' A' ' 108' ' ' ILE . 95.7 m -72.02 -25.4 61.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.56 74.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.088 0.47 . . . . 0.0 110.281 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -71.6 -29.48 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.918 -177.612 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.861 ' HA ' HG21 ' A' ' 77' ' ' VAL . 43.7 mt -69.51 -50.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.205 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.663 HG21 HG23 ' A' ' 34' ' ' ILE . 15.4 t -66.39 -31.49 72.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.343 -174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 19.2 pt-20 -72.31 -45.44 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -55.59 -30.85 61.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 111.301 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.677 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.7 m0 -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.36 -49.73 66.85 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.302 0.481 . . . . 0.0 114.302 -172.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.404 ' CE2' HG22 ' A' ' 41' ' ' ILE . 30.3 m-85 -59.98 -62.96 1.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.343 0.571 . . . . 0.0 112.513 -168.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.436 ' CG ' HG12 ' A' ' 117' ' ' ILE . 59.3 pttt -104.49 10.21 35.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.913 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 112' ' ' TRP . 6.7 mtpm? 59.38 75.64 0.39 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.57 0.7 . . . . 0.0 109.39 -176.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.677 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.4 mt . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.429 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.695 ' SD ' HG13 ' A' ' 30' ' ' ILE . 22.0 ptm . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.122 0.487 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.3 p -106.96 -174.25 2.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.809 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -84.68 -28.2 26.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.47 -23.7 60.1 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 111.833 -2.44 . . . . 0.0 110.267 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.554 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 16.6 t-20 -75.41 -26.7 58.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.809 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -58.8 -39.78 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 CA-C-N 113.169 -1.832 . . . . 0.0 109.592 174.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.537 ' N ' HD21 ' A' ' 138' ' ' ASN . 0.9 OUTLIER -70.49 -41.09 73.15 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.131 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.59 -39.83 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.734 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.43 -51.79 61.35 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.702 -178.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 20' ' ' ILE . 21.9 mm -50.6 -44.33 25.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 121.366 0.603 . . . . 0.0 109.81 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.535 HD11 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -68.26 -48.55 64.75 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.884 -174.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.465 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 61.0 t80 -57.94 -46.72 84.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.084 0.945 . . . . 0.0 110.446 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 41.3 mt -65.44 -44.23 87.97 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.84 -1.527 . . . . 0.0 110.281 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.6 mt-10 -52.96 -25.06 10.78 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.151 0.907 . . . . 0.0 112.688 -176.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.606 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 31.3 mmtt -49.02 -40.32 30.59 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.365 170.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.606 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -116.55 -15.54 10.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.116 0.96 . . . . 0.0 110.109 177.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.657 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.99 178.01 5.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.471 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.0 t-20 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 123.361 0.664 . . . . 0.0 110.42 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.616 0 CA-C-O 120.478 0.18 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.851 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.44 138.52 33.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 121.48 0.657 . . . . 0.0 112.558 174.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -102.35 -52.44 3.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.512 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.708 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -76.49 -0.99 25.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.18 -175.308 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.647 HG21 ' SG ' ' A' ' 50' ' ' CYS . 2.6 p -43.61 -62.81 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.938 167.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -100.46 20.8 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.539 0.685 . . . . 0.0 110.199 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.1 t0 -56.76 -36.76 70.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.858 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.599 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.4 t70 74.6 -26.04 0.2 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.296 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.527 ' C ' HD11 ' A' ' 148' ' ' LEU . 63.0 pttt -123.57 171.75 9.29 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.849 -174.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.654 HG22 ' HA ' ' A' ' 149' ' ' ASN . 7.1 tp -78.96 139.51 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.162 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -100.9 -169.66 1.74 Allowed 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 121.399 0.619 . . . . 0.0 111.505 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -72.88 164.89 25.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.798 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 137' ' ' ILE . 25.9 mtm180 -55.37 -42.3 73.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.08 0.943 . . . . 0.0 109.342 168.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.88 -7.95 44.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.785 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 23.1 t -101.54 -16.38 16.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.993 -171.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.694 ' HB ' HG13 ' A' ' 137' ' ' ILE . 22.1 mm -85.76 -8.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 137' ' ' ILE . 39.8 mm -68.32 -55.94 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 112.969 -1.923 . . . . 0.0 109.348 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 m-20 -72.66 -28.76 62.92 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 113.859 -1.519 . . . . 0.0 108.972 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 53' ' ' LEU . 23.5 tp -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 112.735 -2.029 . . . . 0.0 112.098 -170.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.635 HG13 ' HG2' ' A' ' 132' ' ' MET . 2.7 mm -61.46 -31.38 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.683 -177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.36 -42.22 62.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.851 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.1 mm-40 -58.38 -51.86 68.05 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.383 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.497 ' HH ' ' HD2' ' A' ' 37' ' ' ARG . 69.6 t80 -64.72 -56.73 11.86 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.322 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.6 mm -51.29 -40.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.786 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 59.9 m -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.914 0.388 . . . . 0.0 110.748 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.589 ' O ' HG23 ' A' ' 40' ' ' VAL . 91.0 t90 -67.09 -37.45 83.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 0.0 110.55 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.61 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -57.77 -23.07 50.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.288 0.566 . . . . 0.0 110.055 173.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.0 t-20 -86.61 -46.36 10.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.558 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.636 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 6.2 m-70 -52.12 -40.0 60.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.932 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 6.5 t -59.49 -24.9 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.569 0.7 . . . . 0.0 110.987 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 110' ' ' GLU . 22.1 mm -92.25 -66.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.85 -175.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -49.35 68.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.196 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.1 m-85 -88.03 -4.19 58.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.196 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 52.14 43.47 30.51 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.387 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.932 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 14.4 mtpp -68.13 -166.56 0.07 Allowed 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.707 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.683 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 6.6 t0 -105.26 140.13 38.87 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.496 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -72.61 -26.72 24.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.441 173.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.433 HG22 HG23 ' A' ' 47' ' ' ILE . 24.1 p -88.36 -10.48 49.23 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.941 0.877 . . . . 0.0 109.187 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.683 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.0 t -72.88 82.25 1.19 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.186 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.689 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 36.6 t 172.47 -171.82 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.836 0.854 . . . . 0.0 109.324 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.649 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -90.56 -143.52 11.0 Favored Glycine 0 N--CA 1.468 0.833 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -171.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.599 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 14.1 mtt180 -83.57 -50.29 8.38 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.341 1.067 . . . . 0.0 112.451 170.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.637 HD22 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -48.67 -44.76 38.07 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.935 -167.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.689 ' CE2' ' HB3' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -65.89 -37.29 85.71 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -172.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 57.7 mmtt -45.42 -37.74 5.39 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.39 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' HD23 ' A' ' 144' ' ' LEU . 4.1 tp10 -74.91 -36.85 62.18 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 121.087 0.47 . . . . 0.0 110.425 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -57.33 -37.01 71.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.847 172.478 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtt -55.21 -35.03 64.44 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.514 0.674 . . . . 0.0 110.137 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -71.05 -12.89 61.77 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.619 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.602 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.7 m-30 -80.27 -17.01 53.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.057 0.932 . . . . 0.0 109.214 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.607 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.4 t70 -69.61 -42.3 74.58 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.484 172.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.773 ' HA ' HD11 ' A' ' 65' ' ' ILE . 15.4 t70 -75.82 -41.4 52.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 112.301 -2.227 . . . . 0.0 110.521 -173.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -61.19 -34.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.808 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.16 -40.51 64.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.014 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 62' ' ' ASP . 51.8 mt -58.41 -34.96 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 110.327 172.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.25 -46.12 61.72 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.33 0.586 . . . . 0.0 110.609 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.524 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -76.43 -71.38 0.39 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.158 -172.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.88 -36.78 70.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.29 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.591 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.91 140.17 11.24 Favored Glycine 0 N--CA 1.431 -1.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.062 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.1 tp -56.21 -43.88 77.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.671 -0.764 . . . . 0.0 109.892 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -59.06 -50.83 72.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.332 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -61.21 -46.12 91.74 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 177.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 104' ' ' ILE . 46.0 mt -57.66 -47.38 85.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.603 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.47 -43.34 68.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.015 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -70.06 -37.02 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.29 0.567 . . . . 0.0 110.756 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.76 HG21 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.99 -52.99 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.769 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.494 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.1 p -52.73 -49.86 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.809 0.814 . . . . 0.0 111.471 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 81' ' ' SER . 9.7 mt-10 -61.41 -31.13 71.05 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.81 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.4 72.52 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.981 0.42 . . . . 0.0 110.135 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.76 ' HE3' HG21 ' A' ' 76' ' ' ILE . 8.2 mmt -53.69 -27.29 26.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.606 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.495 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 46.4 t . . . . . 0 N--CA 1.446 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.287 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.44 ' HA ' HD11 ' A' ' 98' ' ' LEU . 61.5 tt0 . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.556 0.693 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.0 tt0 -61.65 -32.22 72.38 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.134 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.5 t -79.99 -35.42 37.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.628 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.49 ' HB3' HD22 ' A' ' 136' ' ' ASN . 83.9 mt -53.98 -58.15 8.39 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' HG13 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.08 -41.34 98.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.408 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.51 -32.88 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 m -65.32 -32.65 74.42 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.722 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 102' ' ' ILE . 2.0 mp -69.65 -55.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.668 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.57 -38.31 94.56 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.814 -0.707 . . . . 0.0 114.062 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -60.47 -35.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.21 -31.1 63.97 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.352 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' A' ' 37' ' ' ARG . . . -71.21 -33.76 70.2 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 107' ' ' LYS . 13.2 tptt -62.48 -31.03 71.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.751 0.786 . . . . 0.0 110.531 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.511 HG12 ' HG3' ' A' ' 80' ' ' MET . 31.0 mt -77.53 -48.51 24.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.174 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.478 HG21 ' HA ' ' A' ' 106' ' ' ALA . 11.2 t -60.76 -38.1 84.06 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.103 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 41' ' ' ILE . 11.3 pt-20 -72.03 -45.23 61.63 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.123 -0.361 . . . . 0.0 111.663 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 22.8 t-80 -58.05 -27.38 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 111.413 -173.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.436 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 44.0 m0 -76.94 -21.19 55.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.389 -174.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.51 61.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 114.971 0.748 . . . . 0.0 114.971 -167.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 41' ' ' ILE . 16.8 m-85 -53.85 -53.16 56.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -110.87 10.35 22.42 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.969 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 57.69 73.57 0.46 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.671 0.748 . . . . 0.0 111.037 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.436 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 16.8 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.053 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.757 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.525 ' O ' HD11 ' A' ' 137' ' ' ILE . 30.3 p -129.76 152.92 48.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.542 -169.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.864 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.8 t70 -49.96 -27.15 4.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.991 167.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -71.66 -31.84 67.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.458 177.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.757 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 13.5 t-20 -77.81 -28.96 50.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -175.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.864 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.1 mp -54.84 -40.12 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.55 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 142' ' ' LEU . 24.7 m-80 -65.93 -41.94 90.71 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.565 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 136' ' ' ASN . 2.9 mp -63.38 -42.62 96.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.46 -51.55 62.48 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.057 -176.537 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.2 mm -50.68 -45.71 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.27 -50.09 61.75 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.161 -175.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.456 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 61.8 t80 -57.19 -47.24 81.75 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 121.974 0.892 . . . . 0.0 110.243 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 59.1 mt -65.98 -44.29 85.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.505 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.58 ' HG3' HG12 ' A' ' 20' ' ' ILE . 21.5 mt-10 -53.17 -24.27 10.38 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.005 0.815 . . . . 0.0 112.84 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 28.1 mmtp -49.34 -38.63 28.68 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.462 170.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.26 -12.97 7.78 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.057 0.932 . . . . 0.0 110.177 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -99.72 177.03 5.26 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.349 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.654 ' HA ' HG22 ' A' ' 20' ' ' ILE . 10.8 t-20 . . . . . 0 C--O 1.25 1.129 0 O-C-N 125.416 1.697 . . . . 0.0 109.245 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.44 -0.952 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CE1' ' HD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -51.0 150.56 2.99 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.84 0.829 . . . . 0.0 112.912 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -108.55 -52.34 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.487 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.657 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.24 -0.42 32.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.104 -177.605 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.637 HG23 ' HG ' ' A' ' 50' ' ' CYS . 2.7 p -47.16 -60.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.564 0.697 . . . . 0.0 109.649 168.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.443 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 12.6 t70 -102.29 19.12 19.35 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.134 -171.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.657 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 23.2 t70 -53.42 -35.67 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.156 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.658 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 16.1 t70 75.82 -20.13 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.908 174.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.521 ' C ' HD12 ' A' ' 148' ' ' LEU . 16.1 ptpt -131.13 172.84 11.65 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.14 0.495 . . . . 0.0 111.623 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.714 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.7 tp -75.32 134.03 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -99.31 -167.94 1.55 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 121.545 0.688 . . . . 0.0 112.078 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -70.15 161.9 29.34 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.187 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 137' ' ' ILE . 99.0 mtt180 -54.63 -41.61 70.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.948 0.88 . . . . 0.0 109.413 168.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.75 -6.38 46.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.458 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.603 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.3 t -103.82 -12.35 16.98 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.102 -171.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.524 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 21.3 mm -89.07 -6.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.447 HD13 HD12 ' A' ' 137' ' ' ILE . 43.9 mm -69.71 -56.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.098 -1.865 . . . . 0.0 109.637 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.94 -32.64 63.6 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 53' ' ' LEU . 23.6 tp -49.3 -49.52 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 112.765 -2.016 . . . . 0.0 113.432 -176.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 30' ' ' ILE . 2.3 mm -60.25 -30.5 46.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.17 0.509 . . . . 0.0 110.736 -177.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.81 -44.91 54.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.7 -50.78 72.61 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.629 ' HH ' ' HD3' ' A' ' 37' ' ' ARG . 75.6 t80 -63.02 -57.32 11.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.851 -175.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.547 HG21 HG23 ' A' ' 109' ' ' THR . 36.0 mm -49.52 -47.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.238 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 63.5 m -65.12 -35.64 81.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.094 0.473 . . . . 0.0 110.816 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.645 ' O ' HG22 ' A' ' 40' ' ' VAL . 86.7 t90 -67.67 -38.65 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.769 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.629 ' HD3' ' HH ' ' A' ' 33' ' ' TYR . 35.3 mmm-85 -54.88 -30.17 57.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.404 0.621 . . . . 0.0 109.45 173.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 23.1 t-20 -82.47 -45.21 15.04 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.62 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.658 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.5 -42.3 61.59 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.081 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.905 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 12.2 t -56.52 -30.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.712 0.767 . . . . 0.0 110.15 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.514 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.3 mm -86.67 -66.95 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.486 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' O ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -49.7 -53.0 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.898 -178.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.537 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -85.81 -5.0 59.31 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.14 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.52 45.0 20.22 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.56 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.905 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 54.9 mtpt -79.29 -158.92 0.17 Allowed 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.133 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 18.2 m-20 -121.74 132.22 54.5 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.362 -177.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.523 HD13 ' CH2' ' A' ' 36' ' ' TRP . 2.6 tp -70.86 -27.55 30.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.286 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -80.64 -11.13 59.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.375 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 t -93.24 82.47 4.52 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.088 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.637 ' HG ' HG23 ' A' ' 15' ' ' VAL . 14.2 t -177.94 -169.57 0.21 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.712 175.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.608 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -89.24 -150.98 23.6 Favored Glycine 0 C--O 1.213 -1.212 0 CA-C-O 121.737 0.632 . . . . 0.0 114.564 -170.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.658 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 43.7 mtt180 -85.09 -44.99 12.5 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.831 0.824 . . . . 0.0 112.05 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 29' ' ' LEU . 5.4 tt -49.86 -46.35 51.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.491 -171.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.654 ' HE1' ' HE2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -67.47 -37.05 82.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.57 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.654 ' HE2' ' HE1' ' A' ' 54' ' ' TYR . 40.0 mmtt -46.54 -34.63 5.04 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.473 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.774 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.6 tp10 -73.96 -38.72 64.11 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.412 0.625 . . . . 0.0 110.459 -176.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 54' ' ' TYR . 1.2 mm? -56.98 -36.38 70.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.287 172.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.469 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 53.2 mtt -55.55 -33.0 63.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.522 0.677 . . . . 0.0 110.428 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HZ2' ' CD ' ' A' ' 56' ' ' GLU . 58.5 mttt -72.5 -14.32 61.63 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.608 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.1 m-30 -81.78 -17.06 48.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.111 0.957 . . . . 0.0 109.041 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 65' ' ' ILE . 11.9 t70 -69.85 -42.18 73.88 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.182 -1.372 . . . . 0.0 107.617 172.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.746 ' HA ' HD13 ' A' ' 65' ' ' ILE . 21.2 t70 -75.67 -41.41 53.99 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 112.536 -2.12 . . . . 0.0 110.612 -174.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -60.28 -33.85 55.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.686 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.23 -42.73 62.25 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.975 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.746 HD13 ' HA ' ' A' ' 62' ' ' ASP . 52.1 mt -58.09 -35.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.491 0.663 . . . . 0.0 110.421 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -67.88 -43.85 78.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.764 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -68.4 0.76 Allowed 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.206 -168.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -71.24 -34.4 70.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.55 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.611 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.26 138.03 10.11 Favored Glycine 0 N--CA 1.435 -1.431 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.379 175.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.622 ' HB ' HG22 ' A' ' 65' ' ' ILE . 10.2 tp -59.24 -42.94 88.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.749 -0.725 . . . . 0.0 110.477 -174.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 19.7 t70 -56.9 -52.11 66.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.015 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -64.36 -43.07 95.67 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.222 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.741 HG12 HD12 ' A' ' 104' ' ' ILE . 34.3 mt -57.0 -47.92 82.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.653 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.15 -45.66 72.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.99 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 45.5 mt-10 -70.06 -35.78 74.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.729 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.822 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.2 mp -71.05 -53.17 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.689 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.678 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.65 -52.75 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.545 0.688 . . . . 0.0 111.328 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -61.35 -34.57 75.51 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.495 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.82 76.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.707 0.289 . . . . 0.0 110.743 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.822 ' HE1' HG23 ' A' ' 76' ' ' ILE . 11.4 mmt -46.08 -34.14 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.018 173.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.6 ' HB3' HG21 ' A' ' 117' ' ' ILE . 15.8 m . . . . . 0 N--CA 1.439 -0.984 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.024 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.524 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.9 tt0 . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.98 -37.75 74.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.953 0.406 . . . . 0.0 111.246 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.2 t -80.89 -30.22 35.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 101' ' ' THR . 77.6 mt -60.26 -46.51 89.55 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.312 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' PHE . 10.2 m-30 -66.93 -40.62 87.64 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.94 0.4 . . . . 0.0 111.451 173.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.54 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.29 -36.07 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.411 -175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 98' ' ' LEU . 7.3 t -71.32 -22.15 61.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.939 -175.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.34 -52.86 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.15 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.81 -37.75 93.69 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.458 -175.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.741 HD12 HG12 ' A' ' 73' ' ' ILE . 6.1 tp -59.43 -41.9 85.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.197 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.716 ' HA ' HD11 ' A' ' 108' ' ' ILE . 54.2 m -72.73 -24.89 61.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.394 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.42 77.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.561 0.22 . . . . 0.0 111.14 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.513 ' HD2' HG23 ' A' ' 73' ' ' ILE . 60.8 mttm -69.37 -30.08 68.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.423 0.63 . . . . 0.0 110.722 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 105' ' ' CYS . 60.7 mt -69.73 -50.13 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.281 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.547 HG23 HG21 ' A' ' 34' ' ' ILE . 8.8 t -63.61 -34.41 77.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.674 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' A' ' 41' ' ' ILE . 24.4 pt-20 -79.65 -39.01 32.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.41 -35.11 62.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.171 0.51 . . . . 0.0 110.734 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.444 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.3 m0 -70.46 -19.83 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' O ' HG11 ' A' ' 42' ' ' VAL . . . -50.28 -58.28 9.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -167.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -54.92 -48.64 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -165.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.555 ' CG ' HG12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -111.23 4.97 19.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.089 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm 56.78 69.49 0.74 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.723 0.773 . . . . 0.0 109.894 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.6 HG21 ' HB3' ' A' ' 81' ' ' SER . 11.1 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.82 -172.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.749 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.5 ppp? . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 137' ' ' ILE . 15.5 p -126.83 158.61 36.21 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.843 -167.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.685 ' HA ' HD12 ' A' ' 137' ' ' ILE . 7.3 t70 -48.42 -32.88 8.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.191 168.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.47 -27.15 63.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.572 0.701 . . . . 0.0 109.408 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.749 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 12.6 t-20 -79.56 -30.81 41.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.12 -177.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 133' ' ' THR . 0.8 OUTLIER -59.03 -37.93 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.134 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.486 ' O ' HD13 ' A' ' 142' ' ' LEU . 19.3 m-80 -64.27 -43.35 95.09 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.484 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.5 mt -63.27 -41.32 92.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.84 0.829 . . . . 0.0 109.137 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.788 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.02 -53.85 49.76 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.918 -177.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 20.0 mm -50.18 -43.87 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 176.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -66.92 -49.84 64.27 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.838 -175.451 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.89 -48.21 78.69 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.879 0.847 . . . . 0.0 110.359 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 27.7 mt -64.84 -43.14 94.04 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.078 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.656 ' HG3' HG12 ' A' ' 20' ' ' ILE . 32.5 mt-10 -53.63 -25.93 19.88 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.485 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 35.8 mttp -51.75 -38.99 57.7 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.805 172.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.485 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -118.13 -17.58 9.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.376 1.084 . . . . 0.0 109.602 -176.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.714 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.8 179.04 5.73 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.778 175.162 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 123.915 0.759 . . . . 0.0 110.189 -166.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.487 0 CA-C-O 120.734 0.302 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.88 145.86 9.2 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.96 0.885 . . . . 0.0 113.036 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -101.7 -53.08 3.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.262 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.73 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -81.79 -2.29 50.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.388 -175.049 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.685 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.5 p -42.48 -48.69 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 172.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.501 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 31.1 t70 -115.54 19.51 15.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.833 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.73 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 21.9 t70 -53.59 -33.94 56.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.874 -173.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.631 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.0 t70 72.7 -27.43 0.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.236 177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' C ' HD12 ' A' ' 148' ' ' LEU . 19.6 pttp -115.74 172.51 7.08 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.524 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 8.2 tp -82.27 139.28 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.403 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 4.8 m -102.67 -169.14 1.62 Allowed 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 121.532 0.682 . . . . 0.0 111.751 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -69.39 161.34 29.6 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.555 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -53.96 -41.75 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.05 0.929 . . . . 0.0 109.342 167.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.26 -4.89 38.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.785 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.586 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.2 t -97.99 -21.84 16.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.598 HD13 HD13 ' A' ' 141' ' ' ILE . 28.0 mm -75.62 -11.74 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 122.603 1.192 . . . . 0.0 108.189 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.98 -55.9 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.021 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.4 -33.45 65.0 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.508 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.805 HD21 HD21 ' A' ' 53' ' ' LEU . 25.7 tp -50.99 -51.46 52.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.668 -2.06 . . . . 0.0 113.221 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.536 HG13 ' HG2' ' A' ' 132' ' ' MET . 7.1 mm -60.84 -34.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.287 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.25 -44.87 71.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.596 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.5 mm-40 -58.25 -51.82 68.17 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.621 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.536 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 69.6 t80 -61.5 -55.26 32.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.059 0.457 . . . . 0.0 110.454 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.17 -24.82 18.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.386 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 57.8 m -81.61 -38.54 25.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.053 -1.029 . . . . 0.0 110.896 170.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.554 ' HD1' ' CE1' ' A' ' 12' ' ' PHE . 71.3 t90 -66.13 -53.48 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.686 ' NH2' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.61 3.68 9.09 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.466 -176.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.686 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 22.5 t-20 -85.75 -47.23 9.95 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.771 165.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 m170 -55.15 -31.89 61.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.744 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 37' ' ' ARG . 14.5 t -60.34 -24.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.659 0.742 . . . . 0.0 110.078 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.538 HG21 ' CE1' ' A' ' 114' ' ' TYR . 23.2 mm -92.15 -64.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.998 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.79 -48.86 37.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.957 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 2.9 m-85 -90.38 -8.65 50.13 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.444 -176.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.0 t-20 49.7 53.08 13.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.318 -173.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.644 ' HZ2' ' HB3' ' A' ' 45' ' ' LYS . 7.4 mtpm? -76.56 -150.12 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.346 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.554 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 9.2 m-20 -125.54 135.36 52.17 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.729 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.3 tp -71.47 -29.04 33.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 122.051 0.929 . . . . 0.0 110.757 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.3 p -75.81 -17.13 59.97 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.034 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.554 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 30.6 t -84.25 82.99 8.13 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.076 -1.875 . . . . 0.0 110.348 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.0 p -174.16 -166.06 0.26 Allowed 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.206 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -108.24 -164.18 21.09 Favored Glycine 0 N--CA 1.44 -1.084 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.829 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.631 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 51.7 mtt180 -73.85 -45.72 49.32 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.334 0.588 . . . . 0.0 112.102 -173.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.805 HD21 HD21 ' A' ' 29' ' ' LEU . 5.7 tt -50.65 -42.08 56.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.124 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.685 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.4 m-30 -69.45 -31.12 69.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -173.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 60.1 mmtt -58.2 -35.66 71.95 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 123.383 0.427 . . . . 0.0 110.115 -176.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' HE2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -72.0 -37.06 69.88 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.018 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -58.82 -38.12 77.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 174.243 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 44.3 mtt -58.01 -32.37 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.298 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 56.2 mttt -74.68 -13.2 60.59 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.476 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.4 m-30 -77.64 -14.8 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.213 1.006 . . . . 0.0 109.324 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.54 ' HB3' ' O ' ' A' ' 58' ' ' MET . 16.5 t70 -68.55 -46.35 69.71 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.094 -1.412 . . . . 0.0 108.346 169.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.69 ' HA ' HD12 ' A' ' 65' ' ' ILE . 19.5 t70 -70.32 -42.57 71.77 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 112.063 -2.335 . . . . 0.0 110.361 -173.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -62.52 -34.71 66.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.193 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.53 65.52 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.234 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 62' ' ' ASP . 45.0 mt -59.47 -35.72 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.765 0.793 . . . . 0.0 110.048 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 27.5 tpt180 -65.18 -48.93 71.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.549 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.459 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -79.33 -72.2 0.4 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.769 -170.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.39 -38.34 71.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.742 -175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 110.71 141.12 8.67 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 174.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.507 ' HB ' HG22 ' A' ' 65' ' ' ILE . 10.9 tp -59.46 -45.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.861 -0.669 . . . . 0.0 110.136 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 27.1 t70 -59.57 -51.48 69.65 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.503 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -58.53 -46.48 86.69 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.428 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.719 HG12 HD11 ' A' ' 104' ' ' ILE . 45.2 mt -60.18 -46.47 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.779 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -54.36 -48.67 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.409 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.9 mt-10 -64.14 -45.03 90.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.851 0.834 . . . . 0.0 109.749 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.793 HG21 ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -67.92 -52.5 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.205 0 CA-C-N 113.891 -1.504 . . . . 0.0 112.838 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 1.002 HG23 ' HA ' ' A' ' 108' ' ' ILE . 6.4 p -52.77 -54.22 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.567 0.698 . . . . 0.0 111.904 -175.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.308 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.87 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.793 ' HE2' HG21 ' A' ' 76' ' ' ILE . 10.3 mmt -50.5 -24.89 3.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.725 ' HB3' HG22 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 121.292 0.568 . . . . 0.0 110.512 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.526 ' HA ' HD11 ' A' ' 98' ' ' LEU . 58.0 tt0 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.4 tt0 -56.34 -42.1 77.16 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 111.162 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.1 t -78.43 -29.15 46.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 95' ' ' GLN . 90.7 mt -61.83 -49.96 74.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.429 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -64.2 -41.22 97.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.104 0.478 . . . . 0.0 110.754 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.37 -31.0 65.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.755 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.3 m -66.69 -33.05 74.78 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.079 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.422 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.1 mp -69.77 -52.4 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -67.06 -40.71 93.12 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.773 -0.727 . . . . 0.0 114.132 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 73' ' ' ILE . 6.0 tp -58.51 -43.78 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.657 ' O ' HG22 ' A' ' 109' ' ' THR . 77.2 m -72.43 -25.34 61.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.832 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -68.67 -52.48 30.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 15.0 tptt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.442 0.639 . . . . 0.0 110.274 -170.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 1.002 ' HA ' HG23 ' A' ' 77' ' ' VAL . 23.7 mt -67.87 -54.82 19.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.884 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 105' ' ' CYS . 0.6 OUTLIER -69.44 -26.18 64.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -174.103 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.1 pt-20 -78.9 -34.09 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.772 -0.58 . . . . 0.0 111.82 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.55 -27.39 57.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.474 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.499 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 47.2 m0 -70.14 -19.51 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.362 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.48 98.93 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 121.314 -0.469 . . . . 0.0 114.059 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 41' ' ' ILE . 18.4 m-85 -55.55 -60.21 3.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -110.79 11.39 22.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.895 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 61.91 74.56 0.44 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.829 0.823 . . . . 0.0 110.374 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.999 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.985 ' HE3' HG13 ' A' ' 137' ' ' ILE . 4.4 ppp? . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.689 ' O ' HD11 ' A' ' 137' ' ' ILE . 2.7 p -92.76 -176.11 4.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.725 -168.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.733 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -81.91 -37.34 26.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 -175.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.401 ' O ' HD13 ' A' ' 139' ' ' ILE . 38.9 t70 -72.57 -22.42 60.99 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 111.613 -2.539 . . . . 0.0 109.683 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.555 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 36.6 t30 -76.96 -26.15 53.63 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.985 HG13 ' HE3' ' A' ' 132' ' ' MET . 1.1 mt -58.52 -42.76 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.596 173.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.517 ' O ' HD12 ' A' ' 142' ' ' LEU . 35.4 m-80 -73.85 -38.49 64.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.717 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 135' ' ' ASP . 1.7 mp -61.93 -40.07 85.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.691 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.36 -52.26 62.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.805 -177.495 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.598 HD13 HD13 ' A' ' 26' ' ' ILE . 25.3 mm -51.22 -45.17 31.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.253 0.549 . . . . 0.0 109.759 175.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.05 -47.58 70.88 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.655 -175.091 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . 0.539 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 62.9 t80 -56.61 -47.74 78.97 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 122.131 0.967 . . . . 0.0 110.402 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.5 mt -68.22 -42.66 79.48 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.251 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.629 ' HG3' HG12 ' A' ' 20' ' ' ILE . 16.4 mt-10 -53.87 -24.8 17.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 123.904 0.752 . . . . 0.0 112.37 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.2 mmtp -48.02 -43.03 29.72 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.034 171.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 1.3 mttt -115.97 -11.62 11.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.154 0.978 . . . . 0.0 109.987 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.691 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -96.59 -179.98 4.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.712 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.248 0.996 0 O-C-N 124.197 0.935 . . . . 0.0 110.087 -172.716 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 120.542 0.21 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.593 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.53 149.13 6.12 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.17 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.0 -53.11 2.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.403 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -70.65 -6.92 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.761 -177.07 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.696 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.8 p -45.06 -47.12 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.052 169.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . 0.62 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.0 t70 -116.31 18.74 15.14 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.756 -175.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.877 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.2 t0 -53.96 -36.0 62.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.37 -172.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.701 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.7 t70 73.06 -29.41 0.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.424 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.542 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.2 ptmt -119.67 170.88 8.8 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.833 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.736 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.5 tp -84.64 137.8 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.718 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -115.15 -163.19 0.86 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 121.502 0.668 . . . . 0.0 111.968 -178.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -67.27 159.6 28.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.272 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.518 ' O ' HG21 ' A' ' 137' ' ' ILE . 70.7 mtm180 -55.02 -39.43 69.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.001 0.905 . . . . 0.0 109.449 167.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.34 -8.32 49.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.324 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.9 t -100.82 -11.3 19.95 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.38 -172.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.54 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 18.9 mm -92.05 -9.35 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.62 -54.87 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.597 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.461 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 4.4 t70 -71.01 -27.82 63.96 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 113.622 -1.627 . . . . 0.0 108.396 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 25' ' ' SER . 22.2 tp -64.09 -49.36 72.55 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 111.955 -2.384 . . . . 0.0 111.861 -171.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.75 -28.14 39.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.501 0.667 . . . . 0.0 109.932 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.64 -44.94 40.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.79 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -59.41 -50.35 74.29 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 174.261 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 87.4 t80 -64.58 -58.14 7.16 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -166.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.712 HG21 HG22 ' A' ' 109' ' ' THR . 41.3 mm -51.78 -42.91 33.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.273 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -67.16 -33.85 76.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.75 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . 0.633 ' O ' HG22 ' A' ' 40' ' ' VAL . 67.0 t90 -68.32 -43.66 77.1 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.586 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 15.8 mmm180 -52.31 -45.65 65.67 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.5 t-20 -60.67 -49.5 77.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.949 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.1 -37.25 44.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.396 -179.283 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.669 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 15.7 t -67.02 -25.44 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.684 0.754 . . . . 0.0 110.75 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.58 HG23 ' CE1' ' A' ' 114' ' ' TYR . 20.8 mm -89.02 -62.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.569 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG12 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.72 -48.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.02 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.507 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.0 m-85 -86.42 -9.16 56.85 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.075 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.7 t-20 48.65 55.81 8.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.067 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 53.9 mtpt -80.73 -143.14 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.186 -1.37 . . . . 0.0 108.758 176.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.47 135.93 42.83 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.344 0.593 . . . . 0.0 110.672 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 47' ' ' ILE . 1.5 tp -74.99 -31.68 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.713 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.417 HG22 HG21 ' A' ' 47' ' ' ILE . 40.8 p -74.2 -19.65 60.46 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.274 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -83.87 82.01 8.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 113.014 -1.903 . . . . 0.0 109.81 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.0 p -170.88 -168.76 0.7 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.253 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.62 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -109.92 -173.02 20.51 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.736 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ARG . . . . . 0.701 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 12.4 mtt180 -70.31 -42.09 72.45 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.609 0.719 . . . . 0.0 111.57 -170.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.63 HD23 HD23 ' A' ' 29' ' ' LEU . 5.2 tt -51.43 -49.96 60.66 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.982 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.696 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.3 m-30 -60.27 -42.23 94.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.725 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 53.5 mmtt -48.28 -39.17 20.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.665 ' HG3' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.58 -34.79 70.23 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.439 -177.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.806 0.336 . . . . 0.0 111.433 172.557 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 31.4 mtt -62.8 -45.38 92.9 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.725 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 84.4 mttt -48.07 -16.44 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.611 -1.632 . . . . 0.0 113.855 171.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.66 ' O ' HG11 ' A' ' 63' ' ' VAL . 7.0 m-30 -85.23 -18.9 32.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.844 0.83 . . . . 0.0 109.99 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 38.3 t70 -70.92 -38.38 72.94 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.567 ' HA ' HD11 ' A' ' 65' ' ' ILE . 23.5 t70 -74.68 -41.1 60.89 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 112.145 -2.298 . . . . 0.0 109.99 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -64.48 -33.1 60.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.723 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.68 -45.47 58.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.874 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.654 HG23 ' HB ' ' A' ' 70' ' ' ILE . 60.7 mt -55.62 -35.64 39.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 171.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -68.58 -44.11 75.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.626 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.2 OUTLIER -83.74 -69.87 0.61 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.641 -171.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.67 -38.71 73.8 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.836 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . 0.612 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.91 138.57 8.37 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.053 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.654 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.4 tp -58.37 -44.68 89.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.898 -0.651 . . . . 0.0 109.825 -176.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.71 -51.77 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.498 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -60.73 -45.81 92.84 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.323 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.748 HG12 HD11 ' A' ' 104' ' ' ILE . 40.2 mt -57.98 -46.8 87.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.803 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -54.04 -48.34 70.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.371 0.605 . . . . 0.0 110.808 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.37 -41.91 98.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.136 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.805 HG21 ' HE2' ' A' ' 80' ' ' MET . 1.4 mp -73.48 -52.88 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.91 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.4 p -52.02 -50.83 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.054 0.931 . . . . 0.0 111.869 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG3' HG12 ' A' ' 77' ' ' VAL . 43.0 mt-10 -62.67 -34.52 77.27 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.022 -1.444 . . . . 0.0 112.384 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.48 -37.34 84.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.275 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' MET . . . . . 0.805 ' HE2' HG21 ' A' ' 76' ' ' ILE . 17.6 mmt -49.52 -14.03 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 172.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 121.617 0.722 . . . . 0.0 109.543 176.358 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.85 -42.18 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.876 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 10.1 t -78.89 -31.91 45.63 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.3 -51.77 65.62 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.479 ' HB3' HG12 ' A' ' 63' ' ' VAL . 9.5 m-30 -63.12 -40.73 98.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.142 0.496 . . . . 0.0 111.206 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . 0.461 ' O ' HG21 ' A' ' 104' ' ' ILE . . . -57.2 -38.24 73.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.035 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.7 m -59.84 -34.14 72.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.587 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.472 HD13 ' N ' ' A' ' 102' ' ' ILE . 2.1 mp -70.12 -52.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.23 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . 0.616 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.39 -42.46 95.96 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.844 -0.693 . . . . 0.0 114.068 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ILE . . . . . 0.748 HD11 HG12 ' A' ' 73' ' ' ILE . 4.8 tp -56.54 -46.81 82.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 109.964 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' CYS . . . . . 0.449 ' HA ' HD13 ' A' ' 108' ' ' ILE . 73.4 m -71.75 -25.25 61.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.32 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.23 -41.23 73.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.069 0.461 . . . . 0.0 110.085 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . 0.616 ' HZ3' ' HA ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.25 -33.36 75.79 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.064 -177.008 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.944 ' HA ' HG23 ' A' ' 77' ' ' VAL . 37.4 mt -66.35 -52.99 40.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.847 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.712 HG22 HG21 ' A' ' 34' ' ' ILE . 10.9 t -66.03 -31.82 72.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.021 -173.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' ARG . 8.9 pt-20 -75.24 -46.59 32.81 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 122.217 -0.302 . . . . 0.0 111.805 -176.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -53.47 -35.56 60.68 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.981 0.42 . . . . 0.0 111.629 -172.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' TRP . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 51.9 m0 -58.32 -18.92 30.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.411 ' HA2' HG12 ' A' ' 42' ' ' VAL . . . -69.58 -36.2 76.01 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.212 -0.518 . . . . 0.0 114.084 -168.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' TYR . . . . . 0.58 ' CE1' HG23 ' A' ' 41' ' ' ILE . 26.9 m-85 -58.53 -61.7 2.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.406 0.603 . . . . 0.0 111.644 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -111.5 14.99 21.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.9 mttm 64.24 71.83 0.47 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.596 0.56 . . . . 0.0 111.05 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.412 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.7 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' MET . . . . . 0.704 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' THR . . . . . 0.634 ' O ' HD11 ' A' ' 137' ' ' ILE . 18.0 p -132.81 154.71 50.03 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.272 -170.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ASP . . . . . 0.825 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.8 OUTLIER -50.88 -27.66 7.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 170.488 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' ASP . . . . . 0.42 ' HB3' ' HG1' ' A' ' 133' ' ' THR . 27.6 t70 -71.62 -30.38 65.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.471 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . 0.704 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 12.4 t-20 -78.14 -28.89 48.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -176.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.825 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -58.06 -37.4 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.821 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASN . . . . . 0.511 ' O ' HD11 ' A' ' 142' ' ' LEU . 26.3 m-80 -62.24 -44.91 95.49 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.487 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.92 -42.05 93.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.718 0.771 . . . . 0.0 108.955 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.6 -53.85 48.45 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.397 -176.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 22.2 mm -50.95 -44.92 28.18 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-O 121.274 0.559 . . . . 0.0 109.808 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -66.34 -48.65 69.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.864 -176.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -56.4 -46.67 80.05 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 122.052 0.929 . . . . 0.0 110.438 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' LEU . . . . . 0.722 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 50.7 mt -67.68 -43.41 80.22 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.36 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLU . . . . . 0.497 ' HG3' HG12 ' A' ' 20' ' ' ILE . 14.6 mt-10 -52.55 -23.96 7.31 Favored 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 124.063 0.852 . . . . 0.0 112.795 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' LYS . . . . . 0.594 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 72.5 mmtt -48.5 -39.39 23.0 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.021 172.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' LYS . . . . . 0.594 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -119.47 -29.3 5.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 122.448 1.118 . . . . 0.0 109.789 178.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' LEU . . . . . 0.736 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.45 177.33 6.04 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 113.109 -1.86 . . . . 0.0 109.69 172.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 20' ' ' ILE . 51.7 t30 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.02 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.957 0.408 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.12 117.11 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m -101.58 94.5 5.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.471 . . . . 0.0 109.819 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.523 ' HE2' ' OD1' ' A' ' 44' ' ' ASN . 17.7 ttpp -165.5 126.71 1.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.197 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.16 141.23 58.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.667 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -78.74 92.43 4.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.905 0.859 . . . . 0.0 109.354 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.668 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 96.2 m-85 -75.02 153.86 38.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.777 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 1.014 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 37.3 mt-10 -134.44 -71.42 0.49 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.025 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 48.93 37.44 10.17 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -171.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 83.52 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 113.759 -1.564 . . . . 0.0 112.721 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -69.56 -42.85 80.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 CA-C-N 111.888 -2.415 . . . . 0.0 111.348 176.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.38 142.03 18.27 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.837 0.827 . . . . 0.0 112.612 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -104.03 -47.3 4.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.421 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.615 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -83.58 -4.91 58.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.166 -176.147 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.663 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -42.37 -49.08 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.917 172.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.501 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 38.1 t70 -115.27 20.01 15.18 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.861 0.865 . . . . 0.0 110.602 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.615 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 9.4 t0 -49.84 -41.03 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.793 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.542 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 9.9 t70 78.06 -22.61 0.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.89 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.5 ' HG2' ' OD1' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -132.29 170.91 14.39 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 121.068 0.461 . . . . 0.0 111.216 -178.191 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.683 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.7 tp -75.08 139.26 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.584 -174.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.3 m -106.64 -168.47 1.42 Allowed 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 121.492 0.663 . . . . 0.0 111.809 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -74.27 163.71 27.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.235 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.495 ' O ' HG21 ' A' ' 137' ' ' ILE . 40.9 mtp180 -52.82 -42.99 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.834 0.826 . . . . 0.0 109.56 167.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -71.59 -7.53 48.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.132 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.532 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 14.9 t -96.31 -26.47 15.37 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 19.7 mm -80.72 -8.89 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.538 1.161 . . . . 0.0 108.058 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 23' ' ' ARG . 44.7 mm -69.56 -56.0 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 113.154 -1.839 . . . . 0.0 109.621 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -74.07 -31.28 62.78 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 114.535 -1.212 . . . . 0.0 108.946 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.681 HD21 HD23 ' A' ' 53' ' ' LEU . 30.0 tp -50.29 -49.67 52.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.854 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.447 HD11 ' HA ' ' A' ' 30' ' ' ILE . 6.8 mm -60.2 -35.57 62.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.378 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.5 -47.59 69.53 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.79 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -58.51 -50.61 73.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 66.2 t80 -64.97 -55.4 19.3 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 120.746 0.308 . . . . 0.0 111.632 -174.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.4 mm -53.68 -33.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.909 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.446 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 44.6 m -77.72 -35.32 52.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.894 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.649 ' O ' HG22 ' A' ' 40' ' ' VAL . 80.6 t90 -67.28 -40.47 86.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.136 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.74 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.85 -29.97 30.99 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.493 0.663 . . . . 0.0 109.682 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' HB3' ' O ' ' A' ' 35' ' ' THR . 29.0 t-20 -81.88 -46.3 14.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.103 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.488 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 7.0 m170 -55.45 -34.98 64.97 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.692 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 13.5 t -61.19 -21.27 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.779 0.8 . . . . 0.0 110.155 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 110' ' ' GLU . 19.1 mm -99.04 -62.82 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.899 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -52.93 -52.36 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.985 -179.751 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.668 ' HB3' ' HB2' ' A' ' 7' ' ' TYR . 1.4 m-85 -87.28 -11.23 50.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.172 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.692 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.4 t-20 49.13 57.05 6.88 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.391 -1.731 . . . . 0.0 110.608 -172.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.014 ' HE2' ' HA ' ' A' ' 8' ' ' GLU . 6.6 mtpm? -74.22 -135.9 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.65 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.3 t70 -135.3 151.12 50.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.702 177.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.6 tp -78.81 -29.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.151 174.023 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.422 HG21 HG22 ' A' ' 47' ' ' ILE . 30.7 p -81.53 -16.08 52.86 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.561 -178.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.48 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 29.7 t -73.03 82.2 1.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.349 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p 179.82 -170.42 0.14 Allowed 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.34 -165.27 19.29 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.723 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.542 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 42.8 mtt180 -68.78 -47.03 67.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.594 0.712 . . . . 0.0 111.731 -171.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.681 HD23 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.51 -44.06 56.03 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.82 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.663 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 1.9 m-30 -68.05 -31.77 71.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -174.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' HE2' ' O ' ' A' ' 51' ' ' GLY . 60.9 mmtt -60.77 -34.37 74.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.937 0.398 . . . . 0.0 109.997 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.54 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.84 -37.6 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.39 -178.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.514 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.58 -36.65 69.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.267 0.556 . . . . 0.0 110.628 173.353 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.63 ' HA ' HH21 ' A' ' 37' ' ' ARG . 44.6 mtt -59.86 -33.59 72.01 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.54 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 58.4 mttt -73.47 -13.23 61.02 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.043 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.615 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -79.21 -13.17 59.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.027 0.917 . . . . 0.0 109.597 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.74 ' HB2' HH22 ' A' ' 37' ' ' ARG . 6.3 t70 -67.3 -42.05 84.35 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 170.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.7 ' HA ' HD13 ' A' ' 65' ' ' ILE . 15.5 t70 -73.51 -42.8 61.32 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.737 -2.029 . . . . 0.0 110.689 -173.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.615 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.35 -34.74 62.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.982 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.36 -41.79 63.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.856 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.7 HD13 ' HA ' ' A' ' 62' ' ' ASP . 59.8 mt -57.83 -35.59 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.673 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -71.37 -43.85 66.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.084 0.468 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.3 OUTLIER -79.35 -68.82 0.63 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.451 -172.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.04 -37.4 64.31 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 102.97 142.78 12.41 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.767 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.4 ' HB ' HG21 ' A' ' 65' ' ' ILE . 10.9 tp -57.06 -43.52 81.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 O-C-N 124.229 0.605 . . . . 0.0 109.496 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -55.08 -52.78 62.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.403 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.785 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.02 -43.92 86.21 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.561 -178.509 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.727 HG12 HD13 ' A' ' 104' ' ' ILE . 38.1 mt -57.61 -46.6 86.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -54.48 -48.35 71.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.938 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.78 -37.32 79.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.735 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.782 HG21 ' HE1' ' A' ' 80' ' ' MET . 1.1 mp -69.15 -52.96 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.65 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.5 p -54.53 -50.97 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.642 0.734 . . . . 0.0 111.378 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -58.2 -39.32 78.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.203 176.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.42 73.06 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.05 0.453 . . . . 0.0 110.093 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.782 ' HE1' HG21 ' A' ' 76' ' ' ILE . 11.0 mmt -48.88 -40.16 28.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.723 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.62 ' HB2' HG22 ' A' ' 117' ' ' ILE . 53.6 p -76.84 -17.93 58.68 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.473 -168.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.99 3.46 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.673 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.87 25.92 72.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.792 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.13 114.69 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -135.09 -176.76 4.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.39 1.09 . . . . 0.0 112.812 -171.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.539 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -149.24 160.88 42.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.232 175.642 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.468 ' HB ' ' O ' ' A' ' 86' ' ' TYR . 1.7 tp 178.31 148.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.01 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -102.75 173.12 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.952 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -131.0 145.17 51.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.437 0.637 . . . . 0.0 112.046 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 167.9 11.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.093 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -149.22 -80.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.448 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.05 37.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 111.276 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.7 -81.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.1 143.45 33.06 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.892 0.377 . . . . 0.0 111.45 -175.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.513 ' HA ' HD13 ' A' ' 98' ' ' LEU . 48.6 tt0 -51.48 -31.35 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.801 168.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.522 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.9 tt0 -58.06 -39.41 78.38 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.722 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 20.8 t -77.64 -33.44 53.55 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 95' ' ' GLN . 87.6 mt -55.42 -51.99 65.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.789 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.415 ' HB3' HG13 ' A' ' 63' ' ' VAL . 10.8 m-30 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.487 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.33 -33.32 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.173 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.451 ' O ' HD13 ' A' ' 131' ' ' LEU . 30.8 m -66.08 -32.29 73.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -72.38 -53.65 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 178.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.71 -40.2 98.89 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.049 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.727 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.69 -39.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.12 -30.1 64.73 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.085 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.572 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.21 -36.16 71.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 110.516 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -68.56 -29.49 68.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.558 0.694 . . . . 0.0 109.909 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.478 ' HA ' HG22 ' A' ' 77' ' ' VAL . 39.0 mt -75.6 -48.86 28.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 106' ' ' ALA . 8.6 t -62.0 -37.3 84.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.881 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.8 pt-20 -68.59 -49.61 58.02 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.186 -0.321 . . . . 0.0 111.113 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 41.9 t-80 -52.18 -34.41 45.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.608 -173.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 50.5 m0 -72.31 -21.73 61.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.445 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -55.47 -43.38 85.3 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 -168.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.442 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.2 m-30 -50.3 -54.84 18.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 117.37 0.585 . . . . 0.0 112.262 -170.094 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.558 ' CG ' HG12 ' A' ' 117' ' ' ILE . 3.1 ptpp? -111.44 9.56 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.15 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 58.55 63.37 1.71 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.612 0.72 . . . . 0.0 109.47 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.62 HG22 ' HB2' ' A' ' 81' ' ' SER . 18.3 mt -71.48 149.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.202 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.503 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 23.2 t 167.74 -35.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.337 1.023 . . . . 0.0 108.293 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 69.53 -50.93 0.62 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.536 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.6 m -83.85 107.91 16.54 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.09 -31.78 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.242 0.544 . . . . 0.0 110.213 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -88.99 136.33 33.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.366 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 64.48 44.15 4.21 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.289 0.566 . . . . 0.0 110.479 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 t -82.51 -7.26 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.011 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -147.62 -179.95 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.62 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.14 -97.71 0.12 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.069 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.08 92.2 7.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.96 0.409 . . . . 0.0 110.969 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.659 HG13 ' H ' ' A' ' 129' ' ' THR . 10.7 pt -112.85 -59.9 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.106 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.659 ' H ' HG13 ' A' ' 128' ' ' ILE . 2.7 p -75.67 -30.22 59.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.339 0.59 . . . . 0.0 110.144 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.55 -1.03 32.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.273 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.21 -11.67 59.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.661 0.743 . . . . 0.0 109.781 178.727 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.829 ' HE3' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -136.15 179.11 6.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.89 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.654 ' O ' HD11 ' A' ' 137' ' ' ILE . 20.1 p -130.48 156.05 45.43 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.39 -170.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.773 ' HA ' HD13 ' A' ' 137' ' ' ILE . 18.2 t70 -49.49 -29.87 7.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.297 0.57 . . . . 0.0 111.108 168.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.432 ' O ' HD11 ' A' ' 139' ' ' ILE . 10.7 t70 -70.77 -28.58 64.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.579 0.705 . . . . 0.0 109.324 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.829 ' HB3' ' HE3' ' A' ' 132' ' ' MET . 9.4 t-20 -78.92 -31.39 45.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.773 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.78 -40.48 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.932 178.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.546 ' O ' HD12 ' A' ' 142' ' ' LEU . 22.5 m-80 -63.82 -43.38 96.4 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.488 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.601 HD11 ' HA ' ' A' ' 136' ' ' ASN . 3.7 mt -63.27 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.811 0.815 . . . . 0.0 109.409 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.612 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.21 -51.91 65.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.886 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.536 ' HA ' HD13 ' A' ' 20' ' ' ILE . 26.2 mm -51.69 -43.89 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.418 0.627 . . . . 0.0 109.725 175.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.546 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.5 -48.46 69.73 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.683 -174.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -56.78 -47.14 80.82 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.948 0.88 . . . . 0.0 110.615 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.796 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 36.1 mt -66.95 -43.2 83.79 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.58 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.524 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.3 mt-10 -53.1 -25.15 12.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 124.145 0.903 . . . . 0.0 112.375 -176.409 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.498 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 11.5 mmmm -47.72 -39.26 17.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.816 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.498 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -121.6 -20.76 6.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 122.113 0.958 . . . . 0.0 110.376 177.363 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -79.83 178.49 8.16 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.734 -1.575 . . . . 0.0 111.706 178.39 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.179 -166.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.48 86.59 2.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 t -117.19 16.03 14.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.992 0.901 . . . . 0.0 109.105 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -117.77 119.23 34.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.573 ' H ' HD21 ' A' ' 5' ' ' LEU . 1.3 pt? -109.11 100.73 9.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.0 110.465 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.484 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 5.2 m-20 -69.89 -23.28 63.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.109 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.783 ' HB2' ' HB1' ' A' ' 10' ' ' ALA . 13.4 p90 -86.94 75.18 9.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.353 0.597 . . . . 0.0 111.027 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.457 ' C ' ' H ' ' A' ' 10' ' ' ALA . 15.4 mt-10 -85.38 -60.08 2.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.714 0.768 . . . . 0.0 110.443 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -81.31 27.17 0.43 Allowed 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.334 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.783 ' HB1' ' HB2' ' A' ' 7' ' ' TYR . . . -64.24 74.15 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.008 1.385 . . . . 0.0 111.564 171.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.51 -44.47 96.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.496 178.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.861 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.04 138.03 31.75 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 178.15 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -106.22 -45.46 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.052 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.841 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -74.33 -6.93 50.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.167 -178.377 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.678 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.2 p -41.72 -47.28 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.066 171.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.541 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.9 t70 -116.34 18.87 15.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.847 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.841 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.7 t0 -51.88 -39.28 58.75 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 111.16 -175.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.743 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 19.1 t70 72.62 -24.04 0.2 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.648 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.615 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.1 pttp -115.99 171.86 7.52 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.407 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.728 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.3 tp -88.42 136.18 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.442 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 -163.7 0.88 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-O 121.508 0.67 . . . . 0.0 112.068 -176.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 t -64.2 159.54 20.46 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.785 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 23' ' ' ARG . 44.5 mtt85 -51.66 -43.26 62.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.907 0.86 . . . . 0.0 109.359 167.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.477 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . 17.5 t70 -76.43 -0.39 22.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.975 -172.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.56 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 6.4 t -94.14 -26.53 16.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.182 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.566 HD12 HD23 ' A' ' 29' ' ' LEU . 25.4 mm -76.55 -13.11 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 CA-C-O 122.589 1.185 . . . . 0.0 108.172 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.477 ' CG1' ' HA ' ' A' ' 24' ' ' ASP . 45.9 mm -68.75 -56.38 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.076 -1.875 . . . . 0.0 109.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -31.89 63.4 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.637 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.57 HD21 HD23 ' A' ' 53' ' ' LEU . 32.7 tp -50.29 -49.91 52.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.324 -2.216 . . . . 0.0 113.226 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.87 -33.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 -48.41 64.29 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.861 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -58.31 -50.76 72.48 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.826 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 72.5 t80 -62.96 -56.18 19.36 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.952 0.406 . . . . 0.0 111.589 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.495 HG21 HG21 ' A' ' 109' ' ' THR . 43.1 mm -56.37 -31.71 33.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.106 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 28.2 m -77.73 -36.37 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.828 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.599 ' O ' HG21 ' A' ' 40' ' ' VAL . 67.7 t90 -66.97 -41.21 87.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.079 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.436 HH21 ' CD ' ' A' ' 110' ' ' GLU . 33.3 mmm-85 -54.26 -27.17 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.616 0.572 . . . . 0.0 109.821 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.482 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 25.9 t-20 -81.43 -45.44 16.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.806 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.456 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 16.3 m170 -59.96 -34.62 73.52 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 12.2 t -61.28 -23.04 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.647 0.737 . . . . 0.0 110.439 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.584 HG13 ' HB2' ' A' ' 110' ' ' GLU . 25.7 mm -91.17 -64.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.926 -175.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HB ' ' HD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.08 -48.27 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.581 -178.029 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.539 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.4 m-85 -92.67 -14.69 27.73 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.196 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.64 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.0 t-20 53.43 58.15 5.49 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.831 -166.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.599 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 99.5 mttt -72.41 -132.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.485 175.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.63 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.4 t0 -135.16 143.05 46.27 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.295 0.569 . . . . 0.0 110.654 177.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.499 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -83.8 -27.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.861 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' HG1' ' CG ' ' A' ' 46' ' ' ASP . 21.6 p -81.52 -19.26 42.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.108 -176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.63 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.3 t -80.5 81.4 6.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.087 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.9 p -171.69 -168.73 0.62 Allowed 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.814 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.541 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.34 -165.86 18.36 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.045 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.743 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mmt180 -71.64 -43.5 66.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.243 0.544 . . . . 0.0 112.026 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD23 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.98 -44.25 63.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.229 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.678 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-30 -70.83 -32.58 69.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 67.6 mmtt -61.68 -35.01 76.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.515 0.674 . . . . 0.0 109.868 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HG2' HD22 ' A' ' 144' ' ' LEU . 13.9 tp10 -72.76 -37.34 67.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.306 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.497 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -57.18 -39.0 74.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 172.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.595 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 49.3 mtt -57.71 -34.34 69.36 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.779 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.473 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 58.7 mttt -69.39 -14.41 62.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.025 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.583 ' O ' HG13 ' A' ' 63' ' ' VAL . 10.3 m-30 -76.47 -13.54 60.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.804 0.811 . . . . 0.0 109.72 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.628 ' O ' HG13 ' A' ' 65' ' ' ILE . 6.7 t70 -69.24 -39.92 78.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.726 ' HA ' HD12 ' A' ' 65' ' ' ILE . 12.1 t70 -73.94 -42.92 59.84 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.363 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.583 HG13 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.78 -35.19 66.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.807 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.56 64.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.915 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.726 HD12 ' HA ' ' A' ' 62' ' ' ASP . 66.6 mt -55.69 -37.82 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.074 0.464 . . . . 0.0 110.682 173.111 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -69.78 -45.96 66.85 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.242 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.446 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -75.95 -72.04 0.34 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.907 -173.629 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.406 ' CE2' ' HB2' ' A' ' 100' ' ' ALA . 22.8 m-85 -72.82 -32.97 65.89 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.427 -175.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.516 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 102.7 139.29 10.39 Favored Glycine 0 N--CA 1.432 -1.588 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.435 175.268 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.508 ' HB ' HG23 ' A' ' 65' ' ' ILE . 9.1 tp -59.18 -44.53 92.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -0.751 . . . . 0.0 110.178 -175.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.22 -53.74 52.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.288 0.566 . . . . 0.0 111.266 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.806 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.63 -41.25 88.59 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.61 -176.471 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.692 HG12 HD13 ' A' ' 104' ' ' ILE . 18.3 mt -58.11 -48.77 83.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.551 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.458 HD22 HG13 ' A' ' 70' ' ' ILE . 95.6 m-20 -57.02 -44.21 82.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.348 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.1 -38.8 69.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.832 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.2 mp -66.26 -52.58 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.814 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.793 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.1 p -53.51 -50.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 122.032 0.92 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -60.9 -38.46 85.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.281 176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.33 86.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.621 0.248 . . . . 0.0 110.91 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.832 ' HE1' HG23 ' A' ' 76' ' ' ILE . 13.0 mmt -46.39 -30.59 2.19 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.893 171.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.817 ' HB3' HG22 ' A' ' 117' ' ' ILE . 17.9 m -82.58 -9.23 59.49 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.014 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -97.56 -3.47 39.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.058 0.456 . . . . 0.0 110.896 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.87 49.73 52.57 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.7 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.61 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.629 ' ND1' ' HA ' ' A' ' 80' ' ' MET . 19.3 p-80 45.01 -162.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 168.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.649 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -165.68 151.45 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.509 -1.678 . . . . 0.0 108.289 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.509 HD11 ' O ' ' A' ' 86' ' ' TYR . 4.0 mm -151.59 133.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.142 0.496 . . . . 0.0 111.316 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -100.23 132.1 45.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.257 173.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.822 0.344 . . . . 0.0 111.457 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 p -109.06 151.57 26.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -148.65 -73.12 0.19 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.238 0.542 . . . . 0.0 110.211 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.28 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.543 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.41 ' HB3' ' H ' ' A' ' 94' ' ' ASP . 79.4 m80 -106.15 -156.64 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.501 -173.331 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.41 ' H ' ' HB3' ' A' ' 93' ' ' HIS . 9.5 m-20 -99.31 156.69 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.363 -173.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -48.95 -41.68 34.85 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.083 0.24 . . . . 0.0 111.59 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.446 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 33.2 tt0 -57.55 -38.75 75.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 0.0 110.57 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -37.82 57.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.642 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.418 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.9 mm? -61.26 -48.82 79.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.223 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.418 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.6 m-30 -63.21 -39.59 95.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.362 0.601 . . . . 0.0 110.756 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.406 ' HB2' ' CE2' ' A' ' 68' ' ' TYR . . . -57.37 -36.77 71.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.791 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.464 ' O ' HD11 ' A' ' 131' ' ' LEU . 25.5 m -69.69 -29.12 66.46 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.407 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.0 mp -72.42 -51.69 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.429 176.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.65 -39.04 95.18 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.765 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.53 -40.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.0 t -72.26 -28.1 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.269 178.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.4 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -69.87 -37.17 75.98 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 110.818 -176.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 78.6 tttt -72.06 -29.08 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.407 0.622 . . . . 0.0 110.069 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.793 ' HA ' HG23 ' A' ' 77' ' ' VAL . 52.8 mt -71.64 -51.37 33.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 34' ' ' ILE . 10.0 t -60.27 -32.96 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.859 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.584 ' HB2' HG13 ' A' ' 41' ' ' ILE . 23.2 pt-20 -80.07 -39.55 29.48 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -56.11 -29.35 60.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 111.443 -174.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.405 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.5 m0 -71.16 -18.46 62.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.682 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.66 93.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.393 -171.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.577 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.7 m-85 -52.98 -63.26 1.2 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.37 19.55 18.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.537 -0.465 . . . . 0.0 112.155 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 60.63 76.06 0.38 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 110.899 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.817 HG22 ' HB3' ' A' ' 81' ' ' SER . 5.3 mt -102.84 156.42 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.687 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.517 ' OG ' ' HA ' ' A' ' 81' ' ' SER . 50.9 m 58.13 89.79 0.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.092 0.87 . . . . 0.0 112.765 173.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -112.02 23.2 14.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.875 0.845 . . . . 0.0 109.102 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -74.27 100.75 3.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.12 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -77.43 79.09 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.374 0.607 . . . . 0.0 110.888 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -145.78 107.48 4.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.492 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -92.0 153.54 19.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 125' ' ' LEU . 16.0 t -135.4 141.62 45.52 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.407 ' HB3' ' O ' ' A' ' 124' ' ' SER . 52.9 tp 74.54 -48.78 0.66 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.852 0.72 . . . . 0.0 111.072 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.31 -123.45 1.01 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -112.1 177.38 4.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.26 -32.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.045 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.96 -3.46 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -176.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.464 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -82.62 -4.64 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.758 0.79 . . . . 0.0 110.309 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.758 ' HE3' HG13 ' A' ' 137' ' ' ILE . 4.0 ppp? -137.03 156.54 48.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.553 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.653 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.3 p -93.47 -177.66 4.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.693 -170.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.758 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.7 p-10 -81.46 -31.7 32.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -175.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.526 ' O ' HD11 ' A' ' 139' ' ' ILE . 38.1 t70 -74.67 -19.74 60.15 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 111.743 -2.481 . . . . 0.0 110.185 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.751 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 24.5 t-20 -75.29 -31.57 60.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.758 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.2 mp -58.71 -42.54 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.723 175.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.453 ' O ' HD13 ' A' ' 142' ' ' LEU . 37.7 m-80 -67.4 -45.43 76.22 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.793 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.526 HD11 ' O ' ' A' ' 135' ' ' ASP . 3.8 mt -61.17 -39.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.761 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.606 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.56 -52.37 61.37 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.92 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.57 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.7 mm -50.92 -47.17 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.393 0.616 . . . . 0.0 109.471 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.453 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -66.45 -49.19 67.5 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.205 -175.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -47.81 78.54 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 122.056 0.931 . . . . 0.0 110.406 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.723 ' HB2' HD12 ' A' ' 20' ' ' ILE . 55.1 mt -67.03 -41.8 85.95 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.331 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.659 ' HG3' HG12 ' A' ' 20' ' ' ILE . 44.7 mt-10 -52.99 -25.98 13.85 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.932 0.77 . . . . 0.0 112.55 -177.001 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.44 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 31.6 mmmt -50.26 -38.2 39.74 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.639 172.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.44 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.43 -10.47 9.28 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.351 1.072 . . . . 0.0 109.595 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.728 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -97.36 177.49 5.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.369 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.251 1.167 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.065 -168.345 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 48.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -129.46 40.5 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.192 -173.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -89.85 35.06 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.625 0.726 . . . . 0.0 110.296 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.53 -9.88 26.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.44 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -88.79 141.33 28.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.497 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.75 ' HB3' ' HD2' ' A' ' 43' ' ' PHE . 85.2 m-85 -108.31 148.13 30.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.845 -174.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.67 -73.39 0.55 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.188 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.9 OUTLIER 49.58 36.89 11.25 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.517 -171.896 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.525 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -76.64 71.6 3.25 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.884 1.326 . . . . 0.0 111.044 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG13 ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -63.77 -43.65 98.02 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 111.494 -2.594 . . . . 0.0 111.052 174.843 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.681 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.53 143.57 11.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.746 0.784 . . . . 0.0 112.611 177.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -103.5 -46.89 4.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.208 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.894 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.09 -6.56 56.74 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.354 -175.81 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.642 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -46.66 -45.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.154 173.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.558 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 6.6 t70 -117.18 16.55 14.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.945 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.894 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 25.0 t70 -55.79 -34.87 65.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.668 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.655 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 22.3 t70 74.56 -23.99 0.22 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.763 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.6 ' C ' HD12 ' A' ' 148' ' ' LEU . 24.8 pttm -121.83 172.35 8.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 122.857 0.463 . . . . 0.0 111.239 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.684 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.1 tp -80.96 136.77 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.218 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.0 -166.89 1.34 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 121.542 0.686 . . . . 0.0 111.55 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' HG12 ' A' ' 26' ' ' ILE . 41.2 t -74.14 162.73 28.67 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.964 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' O ' HG22 ' A' ' 137' ' ' ILE . 95.3 mtt180 -54.28 -43.84 71.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.647 0.736 . . . . 0.0 109.384 167.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.16 -4.53 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.365 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.5 t -99.56 -25.0 14.57 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.197 -175.184 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.612 ' HB ' HG12 ' A' ' 137' ' ' ILE . 17.9 mm -80.14 -10.23 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.529 1.157 . . . . 0.0 107.995 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.482 HD11 HD12 ' A' ' 137' ' ' ILE . 44.8 mm -68.68 -54.89 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.816 175.233 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.5 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 8.2 m-20 -72.09 -34.49 68.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD22 HD21 ' A' ' 53' ' ' LEU . 33.0 tp -50.74 -51.28 51.5 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.786 -174.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.476 HG13 ' HG2' ' A' ' 132' ' ' MET . 5.6 mm -60.04 -34.93 58.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.462 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -68.13 -47.85 66.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.315 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.681 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -59.04 -51.62 69.28 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.5 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.477 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 84.8 t80 -62.65 -56.62 16.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.986 -174.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.502 HG21 HG21 ' A' ' 109' ' ' THR . 30.1 mm -55.03 -32.06 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.945 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.511 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 41.4 m -80.08 -34.76 37.81 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.889 175.002 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.616 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.5 t90 -66.87 -41.65 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.244 . . . . 0.0 111.657 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 10.9 mmm180 -56.53 -26.75 55.63 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.511 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.4 t-20 -78.01 -47.81 17.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.917 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.688 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 9.2 m170 -52.41 -39.53 61.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.643 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.4 t -57.29 -25.05 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.811 0.815 . . . . 0.0 110.559 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.552 HG21 ' CE1' ' A' ' 114' ' ' TYR . 19.6 mm -94.0 -65.48 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.559 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.51 -46.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.176 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.75 ' HD2' ' HB3' ' A' ' 7' ' ' TYR . 2.2 m-85 -90.19 -10.83 42.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.27 -175.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.495 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.2 t-20 50.9 52.1 15.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.677 -174.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.688 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 54.2 mtpt -76.46 -137.19 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.789 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 2.1 t70 -135.16 145.72 48.05 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.077 0.465 . . . . 0.0 110.112 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.466 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -79.54 -28.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.135 174.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.414 HG21 HG23 ' A' ' 47' ' ' ILE . 31.7 p -82.81 -17.11 45.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.446 -175.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 44.3 t -77.61 82.84 4.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.485 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.4 ' SG ' ' HE3' ' A' ' 58' ' ' MET . 23.4 p -172.85 -166.24 0.35 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.561 179.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.558 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.36 -165.47 18.28 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.947 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.655 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.3 mtt180 -68.5 -48.0 65.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.433 0.635 . . . . 0.0 111.701 -172.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.738 HD21 HD22 ' A' ' 29' ' ' LEU . 5.1 tt -51.58 -44.74 62.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.644 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.642 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 54.9 mmtt -62.91 -33.99 76.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.36 0.6 . . . . 0.0 109.437 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.657 ' HG2' HD21 ' A' ' 144' ' ' LEU . 14.5 tp10 -72.13 -37.8 69.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -176.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -57.03 -39.03 74.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.487 172.93 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.565 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.1 mtt -58.46 -34.37 70.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.808 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.405 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 57.1 mttt -69.79 -14.32 62.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.687 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.619 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.08 -16.17 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.765 0.793 . . . . 0.0 109.496 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.619 ' O ' HG13 ' A' ' 65' ' ' ILE . 25.5 t70 -69.76 -42.08 74.33 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 171.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.81 ' HA ' HD12 ' A' ' 65' ' ' ILE . 16.3 t70 -74.09 -41.64 61.36 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.316 -173.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.619 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -61.68 -35.39 67.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.888 -1.506 . . . . 0.0 109.738 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.74 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.81 HD12 ' HA ' ' A' ' 62' ' ' ASP . 63.1 mt -57.99 -39.84 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.792 172.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 66' ' ' ARG . 40.2 ttp180 -70.87 -42.0 70.65 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.486 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -76.34 -71.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.089 -174.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.418 ' CE2' ' HB2' ' A' ' 100' ' ' ALA . 19.7 m-85 -71.61 -48.68 46.42 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.846 -176.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.55 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 120.68 138.11 5.48 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.711 ' HB ' HG22 ' A' ' 65' ' ' ILE . 10.2 tp -57.97 -42.46 82.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.641 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 34.9 t70 -59.42 -49.81 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.531 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -59.55 -45.6 91.32 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.781 178.417 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.745 HG12 HD13 ' A' ' 104' ' ' ILE . 45.9 mt -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.343 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.16 -47.74 77.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.053 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.641 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.1 mt-10 -57.63 -45.05 85.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.298 1.047 . . . . 0.0 109.164 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.802 HG22 ' HE1' ' A' ' 80' ' ' MET . 1.4 mp -72.78 -53.46 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.594 -173.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -55.17 -52.7 42.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 121.206 0.527 . . . . 0.0 110.57 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -53.92 -45.35 71.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.791 177.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.4 ' HB2' ' CD2' ' A' ' 85' ' ' HIS . . . -61.01 -37.28 81.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.579 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.802 ' HE1' HG22 ' A' ' 76' ' ' ILE . 23.1 mmt -48.7 -17.03 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.426 ' N ' ' HZ2' ' A' ' 112' ' ' TRP . 85.7 p -70.65 -19.5 62.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.689 . . . . 0.0 109.746 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.33 -15.08 58.49 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.783 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 33.82 63.53 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.562 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -140.23 -167.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -170.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' CD2' ' HB2' ' A' ' 79' ' ' ALA . 16.8 m-70 66.48 -174.24 0.19 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.523 1.129 . . . . 0.0 112.065 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.573 ' HA ' HD11 ' A' ' 87' ' ' ILE . 0.5 OUTLIER 66.27 166.79 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 114.253 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -147.38 -157.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.981 -160.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.47 ' H ' ' HB ' ' A' ' 87' ' ' ILE . 9.2 m120 -65.46 149.21 50.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.172 0.51 . . . . 0.0 111.659 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -86.63 165.07 16.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.359 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.7 p -102.56 115.24 30.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.958 0.409 . . . . 0.0 111.631 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -107.01 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.691 . . . . 0.0 109.886 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 7.8 m -79.22 49.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.251 -176.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.56 -84.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.501 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 5.9 t70 -155.65 163.83 39.41 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.529 ' HA ' HD13 ' A' ' 98' ' ' LEU . 57.8 tt0 -56.78 -38.52 72.63 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.884 176.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.486 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.4 tt0 -61.6 -36.79 81.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -39.88 71.06 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.48 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD13 ' HA ' ' A' ' 95' ' ' GLN . 89.0 mt -54.23 -53.71 49.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.27 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.404 ' HB3' HG13 ' A' ' 63' ' ' VAL . 13.1 m-30 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.967 0.413 . . . . 0.0 111.384 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.89 -31.46 66.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.429 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.561 ' O ' HD13 ' A' ' 131' ' ' LEU . 98.1 m -66.91 -36.17 81.64 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.735 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.446 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.1 mp -73.2 -53.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.886 179.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.27 99.78 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.255 -173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.745 HD13 HG12 ' A' ' 73' ' ' ILE . 4.6 tp -55.1 -45.8 77.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.786 0.327 . . . . 0.0 110.501 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.603 ' HG ' HD11 ' A' ' 131' ' ' LEU . 59.1 m -72.72 -24.19 60.95 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.601 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.62 74.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.85 0.357 . . . . 0.0 110.398 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.556 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -73.71 -29.32 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.72 0.772 . . . . 0.0 110.619 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.724 HG12 ' HG3' ' A' ' 80' ' ' MET . 42.1 mt -69.19 -46.93 76.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.584 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.502 HG21 HG21 ' A' ' 34' ' ' ILE . 11.2 t -68.34 -30.81 69.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.98 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.556 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 18.1 pt-20 -78.83 -54.35 6.16 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -173.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -58.03 -25.89 61.75 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 111.813 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.67 ' CE3' HD12 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -66.32 -16.3 63.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.444 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.28 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.476 -0.392 . . . . 0.0 112.997 -174.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.552 ' CE1' HG21 ' A' ' 41' ' ' ILE . 17.0 m-85 -52.65 -54.62 30.76 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 19.3 ptpt -110.25 3.15 19.73 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.161 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm 63.96 81.47 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.67 HD12 ' CE3' ' A' ' 112' ' ' TRP . 11.3 mt -101.09 158.29 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.804 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.416 ' N ' HG21 ' A' ' 117' ' ' ILE . 32.2 t 83.83 161.24 0.12 Allowed 'General case' 0 N--CA 1.463 0.175 0 O-C-N 124.081 0.863 . . . . 0.0 111.395 171.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.86 -0.08 55.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.613 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.0 t -82.55 82.47 7.94 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.5 mmt180 -96.14 39.94 1.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.159 -178.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 65.51 176.72 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.018 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 58.24 35.83 25.25 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.296 0.569 . . . . 0.0 110.771 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.8 p -151.79 152.12 32.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.817 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.35 146.77 25.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.408 ' C ' HD21 ' A' ' 127' ' ' ASN . . . -152.74 -154.21 6.61 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.408 HD21 ' C ' ' A' ' 126' ' ' GLY . 0.9 OUTLIER -114.53 40.02 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.257 0.551 . . . . 0.0 109.851 175.349 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mt -96.31 -76.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.325 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 p -74.91 -28.77 60.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.377 0.608 . . . . 0.0 110.973 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.66 -1.22 18.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.338 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.603 HD11 ' HG ' ' A' ' 105' ' ' CYS . 0.0 OUTLIER -84.74 -9.95 57.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 -171.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.727 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.2 ppp? -120.11 168.1 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.707 ' O ' HD13 ' A' ' 137' ' ' ILE . 12.3 p -131.27 158.65 40.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -166.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.615 ' HA ' HD12 ' A' ' 137' ' ' ILE . 14.1 t70 -48.98 -33.18 10.48 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.781 0.675 . . . . 0.0 111.373 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.477 ' HB3' ' HG1' ' A' ' 133' ' ' THR . 12.5 t70 -67.81 -32.29 72.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.681 178.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.727 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.1 t-20 -78.16 -29.94 48.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -175.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 133' ' ' THR . 0.9 OUTLIER -59.12 -37.99 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.975 178.552 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.454 ' O ' HD12 ' A' ' 142' ' ' LEU . 25.7 m-80 -61.77 -45.73 92.62 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.873 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.496 HD11 ' HA ' ' A' ' 136' ' ' ASN . 3.1 mp -61.85 -42.02 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.886 0.85 . . . . 0.0 108.997 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.628 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.64 -53.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.063 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.502 ' HA ' HD11 ' A' ' 20' ' ' ILE . 23.5 mm -50.3 -46.13 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.488 0.661 . . . . 0.0 109.605 175.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.454 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -67.1 -49.86 63.51 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.901 -175.746 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.42 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 68.8 t80 -57.24 -45.33 84.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 122.159 0.98 . . . . 0.0 110.783 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.699 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 71.6 mt -66.47 -42.97 86.7 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.826 -1.534 . . . . 0.0 110.363 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.492 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 19.7 mt-10 -53.26 -24.6 11.84 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 112.518 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 54.5 mmtt -47.48 -43.75 24.68 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.136 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -115.48 -12.03 11.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.004 0.907 . . . . 0.0 110.008 179.122 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.699 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -98.08 177.56 5.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.004 -178.445 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.679 -171.338 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.321 0.581 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.96 62.94 4.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.803 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.2 m -63.66 -53.31 53.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -141.55 21.8 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.864 168.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.92 45.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.591 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.463 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 3.4 m-20 -74.13 -39.14 63.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.852 0.834 . . . . 0.0 109.502 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -105.9 67.37 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.672 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' H ' ' HG3' ' A' ' 8' ' ' GLU . 10.0 mt-10 -67.41 -72.48 0.17 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.495 0.664 . . . . 0.0 110.779 -175.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -87.92 31.35 0.78 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 78.91 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.887 1.327 . . . . 0.0 111.322 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.96 -43.09 79.67 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.255 -178.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.605 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.2 144.35 9.56 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.951 0.882 . . . . 0.0 113.155 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -100.9 -53.4 3.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.147 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.997 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -4.47 35.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.195 -174.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.707 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -49.16 -48.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.993 171.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.654 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 5.7 t70 -116.38 19.16 14.91 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.472 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.997 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.4 t0 -52.23 -36.37 52.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.358 -170.547 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.602 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 14.6 t70 73.01 -29.19 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.096 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' C ' HD13 ' A' ' 148' ' ' LEU . 26.4 pttm -116.73 170.48 8.56 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.78 -174.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -83.43 144.25 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.483 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -168.43 1.5 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.96 0.886 . . . . 0.0 112.544 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -65.68 156.44 32.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.774 -1.557 . . . . 0.0 111.342 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' ILE . 78.6 mtm180 -55.75 -36.86 67.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.344 1.068 . . . . 0.0 109.375 168.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -75.64 -2.56 29.97 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.884 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.432 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.5 t -105.06 -21.33 13.29 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.115 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.606 ' HB ' HG21 ' A' ' 137' ' ' ILE . 24.9 mm -79.47 -5.71 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 122.792 1.282 . . . . 0.0 107.957 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.38 -56.41 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.009 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.416 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 4.1 m-20 -72.58 -30.84 64.74 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.523 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.548 HD21 HD22 ' A' ' 53' ' ' LEU . 31.2 tp -50.14 -48.97 53.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 112.6 -2.091 . . . . 0.0 112.833 -175.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD11 ' HA ' ' A' ' 30' ' ' ILE . 5.9 mm -61.25 -34.7 61.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.063 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.38 -43.88 69.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.651 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.605 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.9 mm-40 -59.36 -51.98 67.58 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.596 177.082 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.46 -56.07 21.63 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.109 0.481 . . . . 0.0 111.584 -174.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.794 HG13 HG23 ' A' ' 128' ' ' ILE . 46.6 mm -56.06 -36.23 44.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.991 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.426 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 88.5 m -73.74 -34.97 64.98 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.916 175.116 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.583 ' O ' HG21 ' A' ' 40' ' ' VAL . 76.4 t90 -67.57 -38.9 84.76 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.264 -0.272 . . . . 0.0 111.476 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.462 HH21 ' CD ' ' A' ' 110' ' ' GLU . 43.7 mmm-85 -58.92 -21.45 57.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.282 0.563 . . . . 0.0 109.954 175.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.426 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.2 t-20 -84.58 -44.87 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.169 177.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.667 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.71 -32.3 29.59 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.668 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.3 t -67.44 -24.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.032 0.92 . . . . 0.0 109.794 -176.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.536 HG23 ' O ' ' A' ' 110' ' ' GLU . 27.2 mm -93.42 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.506 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -52.4 -52.33 26.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.137 -179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.494 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.1 m-85 -88.89 -7.7 55.6 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.761 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 54.56 51.14 14.55 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.308 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.668 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 48.2 mtpt -77.16 -142.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.524 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.576 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 4.3 t0 -134.53 145.31 48.62 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.633 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.488 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.4 tp -77.02 -28.73 16.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.988 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.41 HG21 HG22 ' A' ' 47' ' ' ILE . 30.0 p -83.33 -16.45 46.09 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.287 -177.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.576 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 37.0 t -77.04 82.86 3.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.233 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -173.56 -162.16 0.15 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.918 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.654 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.62 -166.62 19.19 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.826 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.602 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.8 mtt180 -75.88 -43.45 45.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.49 0.662 . . . . 0.0 111.624 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.664 ' HG ' HD13 ' A' ' 144' ' ' LEU . 6.2 tt -51.49 -42.54 61.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.758 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.707 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.2 m-30 -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.425 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 60.5 mmtt -60.74 -32.2 71.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.461 0.648 . . . . 0.0 109.771 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -71.62 -42.56 67.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.248 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.49 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -55.38 -37.86 68.1 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.958 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.58 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 51.1 mtt -57.21 -33.95 68.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.175 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mttt -66.4 -18.85 65.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.031 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.626 ' O ' HG11 ' A' ' 63' ' ' VAL . 6.3 m-30 -78.65 -12.96 60.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.985 0.898 . . . . 0.0 109.77 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.566 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.2 t70 -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 171.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.681 ' HA ' HD11 ' A' ' 65' ' ' ILE . 21.6 t70 -78.36 -40.81 35.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.319 -2.219 . . . . 0.0 110.673 -171.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.626 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.7 -34.92 64.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.22 63.99 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.088 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.681 HD11 ' HA ' ' A' ' 62' ' ' ASP . 50.0 mt -58.19 -36.72 58.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.381 172.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -69.7 -45.35 68.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.428 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.533 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -75.81 -71.94 0.35 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.467 -175.732 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -70.45 -41.69 72.48 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.479 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.568 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.15 142.57 10.21 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.876 175.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.62 -44.02 84.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.017 -0.592 . . . . 0.0 109.653 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.467 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 11.1 t70 -57.18 -52.58 64.74 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.587 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.688 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.31 -43.96 96.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.767 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.754 HG12 HD11 ' A' ' 104' ' ' ILE . 30.3 mt -58.95 -45.83 91.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.601 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.18 -47.19 78.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.944 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 73.0 mt-10 -66.38 -40.92 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.85 HG22 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -67.52 -52.68 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.139 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.746 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.17 -50.5 45.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.928 0.87 . . . . 0.0 111.138 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -55.35 -46.36 76.43 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.367 175.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.91 66.79 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.953 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.85 ' HE3' HG22 ' A' ' 76' ' ' ILE . 14.4 mmt -44.07 -33.66 1.53 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.793 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.481 ' HB3' HG22 ' A' ' 117' ' ' ILE . 14.6 m -81.75 -10.17 59.43 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 -171.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.53 -7.9 57.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.101 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.38 15.84 59.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.473 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.15 147.31 29.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.532 ' HD2' ' H ' ' A' ' 87' ' ' ILE . 14.5 p-80 -149.94 175.67 11.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.421 0.629 . . . . 0.0 111.788 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.49 46.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.433 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.532 ' H ' ' HD2' ' A' ' 85' ' ' HIS . 47.2 mm -88.03 110.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -96.76 125.14 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -85.35 114.97 22.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -81.91 71.99 8.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 110.038 171.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -67.51 -69.69 0.3 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.823 -174.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.66 48.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.222 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -97.6 -79.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.16 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -147.76 166.88 26.18 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.517 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.4 tt0 -58.38 -37.89 76.18 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.72 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.533 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 30.3 tt0 -58.55 -34.05 70.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 176.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.405 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 21.5 t -79.79 -32.81 40.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.521 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.517 HD12 ' HA ' ' A' ' 95' ' ' GLN . 74.5 mt -57.88 -47.84 81.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.915 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.518 ' HB3' HG12 ' A' ' 63' ' ' VAL . 10.2 m-30 -71.25 -39.63 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.946 0.403 . . . . 0.0 111.73 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.474 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.43 -33.37 67.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.561 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.503 ' O ' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -67.39 -28.35 67.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.752 0.31 . . . . 0.0 111.163 -178.056 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.94 -53.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.318 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.8 96.1 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.754 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.754 HD11 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.31 -40.72 82.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.62 -26.19 61.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.545 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -71.57 -41.5 68.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.965 0.412 . . . . 0.0 110.509 -176.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -63.57 -32.04 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 110.458 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.746 ' HA ' HG23 ' A' ' 77' ' ' VAL . 41.5 mt -71.48 -49.47 46.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.853 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.421 HG21 ' O ' ' A' ' 106' ' ' ALA . 9.2 t -62.6 -28.62 70.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.42 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mt-10 -65.93 -51.8 55.38 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -54.51 -31.68 56.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.618 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.619 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 54.8 m0 -72.31 -20.14 61.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.42 -47.14 87.41 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.04 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.522 ' CE1' HG21 ' A' ' 41' ' ' ILE . 14.5 m-85 -53.46 -57.04 12.09 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.1 0.45 . . . . 0.0 112.142 -169.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.401 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.1 ptpt -110.66 6.81 21.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.744 ' HZ1' ' HB3' ' A' ' 116' ' ' LYS . 9.2 mtpm? 61.34 82.94 0.16 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.829 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.481 HG22 ' HB3' ' A' ' 81' ' ' SER . 7.6 mt -101.62 155.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.602 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.6 m 58.77 30.88 20.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.278 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -79.12 3.04 18.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 m -68.38 -17.15 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.416 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.38 102.78 12.26 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -86.16 -159.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.532 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.421 ' O ' ' HB3' ' A' ' 124' ' ' SER . 15.6 pt20 -69.32 170.79 9.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.047 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' A' ' 123' ' ' GLN . 33.4 t 75.95 4.66 3.83 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.9 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.6 mt -139.05 131.08 27.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.387 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 137.05 30.19 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.82 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.8 78.63 6.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.005 0.431 . . . . 0.0 110.844 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.794 HG23 HG13 ' A' ' 34' ' ' ILE . 4.7 mp -67.22 -20.7 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.586 0.708 . . . . 0.0 109.338 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 17.5 p -54.46 -33.32 59.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.636 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.78 -1.61 57.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.746 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.503 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.54 -24.96 36.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.649 0.738 . . . . 0.0 109.279 176.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.804 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -109.7 160.23 16.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.927 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.507 ' O ' HD11 ' A' ' 137' ' ' ILE . 8.6 p -90.25 -176.05 4.71 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -169.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -82.33 -32.59 29.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.107 -2.182 . . . . 0.0 105.107 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.09 -21.12 60.82 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 111.615 -2.539 . . . . 0.0 110.2 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.804 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 22.0 t-20 -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -172.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.606 HG21 ' HB ' ' A' ' 26' ' ' ILE . 1.4 mp -57.65 -45.26 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.512 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.533 ' O ' HD12 ' A' ' 142' ' ' LEU . 33.3 m-80 -65.88 -42.4 90.36 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.053 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.07 -40.45 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.776 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -66.3 -50.12 64.75 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.47 -175.877 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.495 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 26.9 mm -50.65 -46.0 27.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.533 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -65.43 -48.36 73.03 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.963 -177.747 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 76.3 t80 -56.78 -46.58 81.4 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 122.171 0.986 . . . . 0.0 110.146 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.776 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.4 mt -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.701 -1.59 . . . . 0.0 110.313 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.495 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 22.2 mt-10 -53.23 -24.84 12.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 124.012 0.82 . . . . 0.0 112.496 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.548 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 22.2 mmtt -48.75 -37.45 18.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.764 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.548 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.9 -11.7 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.074 0.94 . . . . 0.0 110.095 176.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.691 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -100.41 178.5 4.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.736 -179.185 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.473 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 18.1 t-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.497 0.719 . . . . 0.0 110.107 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' HB3' ' HG2' ' A' ' 4' ' ' LYS . . . -155.84 -87.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.183 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 m 56.71 33.04 22.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.127 0.965 . . . . 0.0 109.815 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HG2' ' HB3' ' A' ' 2' ' ' ALA . 22.2 pttp -104.78 -41.33 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.749 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.2 tp -86.41 -34.17 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.49 . . . . 0.0 109.72 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.86 117.19 33.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.074 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.485 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.4 t80 -173.9 -90.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 173.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.735 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 40.8 mt-10 -132.82 -72.1 0.52 Allowed 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.447 ' O ' HG13 ' A' ' 11' ' ' VAL . 3.2 t70 51.88 44.98 28.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -167.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.461 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -72.77 63.98 0.64 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 123.217 1.485 . . . . 0.0 112.228 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG13 ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -50.98 -49.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 111.595 -2.548 . . . . 0.0 111.313 171.397 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.615 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -54.02 142.58 24.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 174.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -106.49 -46.98 3.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.034 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.836 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -72.12 -7.78 50.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.276 -177.247 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.639 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -45.28 -47.16 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.15 171.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.599 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 16.8 t70 -116.03 19.27 15.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.378 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.836 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.1 t70 -54.36 -34.76 61.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 -172.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.663 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.3 t70 73.67 -25.4 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.459 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.545 ' C ' HD11 ' A' ' 148' ' ' LEU . 14.5 ptmm? -120.7 173.27 7.3 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 123.404 0.682 . . . . 0.0 111.07 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.65 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.9 tp -79.08 138.09 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.541 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.1 -168.34 1.55 Allowed 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 121.767 0.794 . . . . 0.0 111.392 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.556 ' HB3' ' HB2' ' A' ' 25' ' ' SER . 34.7 t -71.77 156.73 39.0 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.494 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.515 ' O ' HG22 ' A' ' 137' ' ' ILE . 96.9 mtt180 -58.05 -37.2 73.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.402 1.096 . . . . 0.0 109.064 169.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.04 -3.21 34.56 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.408 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.556 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 5.5 t -104.83 -21.5 13.33 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.846 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.506 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 23.4 mm -80.46 -5.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.664 1.221 . . . . 0.0 107.883 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 -56.3 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 112.884 -1.962 . . . . 0.0 109.83 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 98.9 m-20 -72.96 -31.88 64.85 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-O 122.319 1.057 . . . . 0.0 108.401 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.587 HD21 HD23 ' A' ' 53' ' ' LEU . 28.6 tp -50.22 -49.52 52.56 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.846 -174.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.623 HG22 HG21 ' A' ' 128' ' ' ILE . 3.8 mm -60.15 -34.5 57.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.8 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.541 ' HA ' HG22 ' A' ' 128' ' ' ILE . 18.3 t70 -70.95 -44.56 65.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.615 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.2 mm-40 -59.04 -51.94 67.89 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.777 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.55 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 83.5 t80 -60.6 -55.76 29.44 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.194 0.521 . . . . 0.0 111.186 -176.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.7 -30.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.903 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 96.2 m -76.94 -40.18 47.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.602 ' O ' HG22 ' A' ' 40' ' ' VAL . 79.8 t90 -67.12 -39.07 86.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.283 -178.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -58.04 -23.72 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.182 0.515 . . . . 0.0 109.905 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.472 ' HB3' ' O ' ' A' ' 35' ' ' THR . 26.2 t-20 -85.24 -42.78 14.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.144 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.601 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 3.3 m-70 -54.45 -31.83 56.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 36' ' ' TRP . 14.1 t -69.0 -18.54 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 122.055 0.931 . . . . 0.0 109.567 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.559 HG21 ' CE1' ' A' ' 114' ' ' TYR . 21.4 mm -96.63 -63.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.41 -1.268 . . . . 0.0 112.259 -176.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.603 HG12 ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -52.21 -51.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.232 -178.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.519 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -90.42 -7.46 53.09 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.61 -177.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.595 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.8 t-20 48.13 54.16 10.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.576 -174.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.735 ' HE3' ' HA ' ' A' ' 8' ' ' GLU . 58.2 mtpt -75.85 -142.03 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.025 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.691 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 6.7 m-20 -130.07 133.83 46.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 -177.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.7 tp -73.27 -29.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.043 0.925 . . . . 0.0 110.401 176.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -76.99 -17.08 59.11 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.861 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.691 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 40.2 t -84.43 82.89 8.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.13 -1.85 . . . . 0.0 110.357 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.9 p -174.74 -169.45 0.42 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.599 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.35 -165.75 22.85 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.863 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.663 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 55.8 mtt180 -73.43 -44.15 58.85 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.473 0.654 . . . . 0.0 111.429 -172.173 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.587 HD23 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -51.36 -44.42 62.07 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.599 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.639 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.5 m-85 -69.77 -33.22 72.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.492 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 66.8 mmtt -59.93 -34.51 73.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.184 0.516 . . . . 0.0 109.839 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG2' HD23 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -72.14 -38.88 69.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.665 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.55 ' HB3' ' CZ ' ' A' ' 33' ' ' TYR . 0.3 OUTLIER -58.38 -37.82 76.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.394 174.14 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.622 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 48.5 mtt -58.84 -34.93 72.13 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.716 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -67.32 -15.61 63.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.739 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.03 -15.84 58.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.913 0.863 . . . . 0.0 109.536 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.548 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.6 t70 -69.29 -40.1 77.91 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 172.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.622 ' HA ' HD11 ' A' ' 65' ' ' ILE . 24.4 t70 -76.03 -40.55 53.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 112.426 -2.17 . . . . 0.0 110.335 -173.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -63.82 -34.32 67.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.773 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.69 60.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.139 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.648 HG21 ' HB ' ' A' ' 70' ' ' ILE . 55.0 mt -56.47 -37.78 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.795 0.807 . . . . 0.0 110.162 171.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -69.38 -44.03 72.34 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.47 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.402 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -80.76 -69.35 0.61 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.565 -175.012 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.17 -41.65 66.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.391 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.593 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.85 138.52 8.37 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.319 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.648 ' HB ' HG21 ' A' ' 65' ' ' ILE . 10.3 tp -57.15 -43.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 114.478 -0.861 . . . . 0.0 110.019 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.86 -52.07 63.95 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.494 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.777 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.88 -42.27 94.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.751 HG12 HD12 ' A' ' 104' ' ' ILE . 39.1 mt -59.09 -46.63 91.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.6 -48.18 69.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.98 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.68 -35.22 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.917 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.805 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -71.53 -52.73 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.726 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.901 HG21 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.51 -53.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.508 0.671 . . . . 0.0 111.823 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -58.38 -37.8 76.0 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.465 178.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' HB2' ' O ' ' A' ' 84' ' ' ASP . . . -59.08 -51.3 70.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.805 ' HE2' HG23 ' A' ' 76' ' ' ILE . 9.5 mmt -47.72 -34.72 8.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.253 175.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.569 ' HB3' HG23 ' A' ' 117' ' ' ILE . 17.9 m -73.2 -21.65 60.62 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.915 -173.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.62 -5.15 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.331 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.03 30.5 55.46 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.692 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 26.7 t70 -149.11 132.98 17.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.41 ' HB2' HD13 ' A' ' 87' ' ' ILE . 19.1 p80 -154.27 -168.68 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.259 0.552 . . . . 0.0 112.145 -175.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -80.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.332 177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.41 HD13 ' HB2' ' A' ' 85' ' ' HIS . 1.6 mp 70.41 117.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 122.093 0.949 . . . . 0.0 113.516 171.559 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -136.21 114.61 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.392 -1.277 . . . . 0.0 107.821 168.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -88.37 133.93 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.409 0.623 . . . . 0.0 112.431 -169.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -103.62 86.0 2.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.584 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -80.69 -80.46 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.099 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.51 25.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -82.76 -54.88 4.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -161.81 159.45 27.0 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.297 0.57 . . . . 0.0 111.058 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.532 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.9 tt0 -60.14 -37.02 78.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.054 177.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.402 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.2 tt0 -58.62 -35.38 72.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.293 0.568 . . . . 0.0 110.027 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 t -80.19 -34.01 37.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.59 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.532 HD12 ' HA ' ' A' ' 95' ' ' GLN . 71.3 mt -54.9 -54.01 48.07 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.112 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 12.8 m-30 -65.54 -38.71 90.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.73 -33.18 68.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.479 HG21 ' HG ' ' A' ' 131' ' ' LEU . 45.1 m -66.02 -34.05 77.2 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.895 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.438 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.0 mp -71.85 -53.83 18.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.455 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.449 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.87 -40.32 99.11 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.97 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.751 HD12 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -57.95 -40.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.4 t -72.33 -28.78 63.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.45 -37.54 71.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.269 0.556 . . . . 0.0 109.939 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -68.68 -28.75 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.145 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.901 ' HA ' HG21 ' A' ' 77' ' ' VAL . 42.4 mt -76.9 -52.48 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.5 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.2 t -58.12 -31.44 67.17 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.319 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.501 ' HB2' HG13 ' A' ' 41' ' ' ILE . 6.0 pt-20 -72.51 -39.22 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.4 -34.54 58.12 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 111.279 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.502 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 42.6 m0 -71.29 -17.8 62.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.022 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.434 ' HA2' HG11 ' A' ' 42' ' ' VAL . . . -64.65 -47.1 87.25 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.207 -0.521 . . . . 0.0 113.921 -170.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.559 ' CE1' HG21 ' A' ' 41' ' ' ILE . 17.3 m-85 -50.45 -61.19 2.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -170.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -110.88 9.54 22.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.54 -175.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.603 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 63.27 78.36 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.507 0.67 . . . . 0.0 110.088 -175.403 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.569 HG23 ' HB3' ' A' ' 81' ' ' SER . 9.5 mt -97.14 157.46 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.47 -174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 p 74.75 132.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.582 1.153 . . . . 0.0 111.716 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -125.26 -41.31 2.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.492 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.8 t -81.4 75.66 8.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.373 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -93.56 102.61 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.97 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 123.2 24.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 105.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.29 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.2 mt 62.92 24.09 14.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.036 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.4 28.94 1.92 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.483 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.604 ' HB3' ' HB2' ' A' ' 130' ' ' ASP . 23.8 t-20 -69.32 143.72 53.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.623 HG21 HG22 ' A' ' 30' ' ' ILE . 62.9 mt -48.83 -60.27 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 O-C-N 123.424 0.452 . . . . 0.0 112.161 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.2 p -70.19 -24.24 63.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.604 ' HB2' ' HB3' ' A' ' 127' ' ' ASN . 1.1 m-20 -79.4 -4.09 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.75 -176.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.479 ' HG ' HG21 ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.12 -11.02 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.787 0.803 . . . . 0.0 109.722 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.766 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 3.9 ppp? -139.99 -177.43 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.906 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.715 ' O ' HD12 ' A' ' 137' ' ' ILE . 38.1 p -132.99 154.1 50.83 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.764 -169.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.702 ' HA ' HD11 ' A' ' 137' ' ' ILE . 9.9 t70 -48.27 -32.3 7.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.683 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.32 -32.51 71.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.392 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.766 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 11.2 t-20 -78.21 -29.67 48.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.715 HD12 ' O ' ' A' ' 133' ' ' THR . 0.8 OUTLIER -57.24 -39.01 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.545 178.216 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.524 ' O ' HD12 ' A' ' 142' ' ' LEU . 28.8 m-80 -65.9 -43.61 87.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.924 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.424 HD12 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.03 -41.69 92.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.648 0.737 . . . . 0.0 109.04 178.292 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.65 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.02 -51.56 63.61 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.817 -176.586 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.543 ' HA ' HD13 ' A' ' 20' ' ' ILE . 24.5 mm -51.05 -45.82 30.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-O 121.292 0.568 . . . . 0.0 109.476 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.524 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -65.75 -49.05 69.8 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.13 -176.428 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 76.8 t80 -55.93 -46.5 78.47 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.152 0.977 . . . . 0.0 110.273 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.702 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 39.1 mt -68.13 -45.86 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.057 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.4 mt-10 -53.18 -24.27 10.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 124.138 0.899 . . . . 0.0 112.773 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.41 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 71.8 mmtt -47.9 -38.87 17.38 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.665 171.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.41 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -119.76 -15.75 8.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.151 0.977 . . . . 0.0 110.21 176.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.702 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -94.19 175.5 6.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.734 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.551 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 25.8 t-20 . . . . . 0 C--O 1.249 1.058 0 O-C-N 125.148 1.53 . . . . 0.0 108.763 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.626 0.25 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.91 99.99 6.67 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 m -127.38 92.75 3.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.175 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.545 ' HB3' ' HZ3' ' A' ' 4' ' ' LYS . 6.0 ttpm? -137.07 91.06 2.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -178.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -138.57 3.57 2.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.663 0.744 . . . . 0.0 109.172 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.711 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . 4.3 p-10 -144.27 -160.36 1.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.113 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.433 ' H ' ' HE3' ' A' ' 45' ' ' LYS . 71.5 t80 67.64 12.48 8.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.639 0.733 . . . . 0.0 110.69 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -83.64 -57.66 3.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 122.007 0.908 . . . . 0.0 109.625 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.564 ' CG ' ' HZ1' ' A' ' 45' ' ' LYS . 9.9 p-10 -72.25 -0.79 13.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.757 -1.565 . . . . 0.0 111.026 177.424 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.85 91.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.467 1.127 . . . . 0.0 111.131 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -89.97 -40.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.986 -176.443 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.51 140.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -106.46 -44.08 4.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.862 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.645 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.29 -4.67 51.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.292 -177.588 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.684 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 p -41.25 -48.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.031 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.545 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 27.0 t70 -116.03 20.2 14.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.157 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.645 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 17.9 t70 -51.14 -38.54 52.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.18 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.773 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 26.7 t70 73.38 -18.98 0.35 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.201 172.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.638 ' C ' HD12 ' A' ' 148' ' ' LEU . 17.7 pttp -121.17 172.22 8.14 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.685 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 9.7 tp -78.39 135.39 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.413 ' SG ' HD11 ' A' ' 53' ' ' LEU . 3.5 m -104.12 -169.71 1.67 Allowed 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 121.647 0.737 . . . . 0.0 111.822 -175.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -74.03 163.9 27.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.323 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 27' ' ' ILE . 18.2 mtp180 -51.68 -44.44 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.736 0.779 . . . . 0.0 109.141 167.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.02 -8.02 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.047 -171.674 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.614 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.5 -29.84 15.33 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.197 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.749 ' HB ' HG22 ' A' ' 137' ' ' ILE . 24.6 mm -74.22 -17.41 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-O 122.437 1.113 . . . . 0.0 108.506 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' ARG . 47.9 mm -64.93 -55.89 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.065 -1.879 . . . . 0.0 109.604 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.67 64.88 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.718 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD22 HD21 ' A' ' 53' ' ' LEU . 22.3 tp -51.1 -51.59 51.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.264 -2.243 . . . . 0.0 113.45 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.799 HG23 HD11 ' A' ' 128' ' ' ILE . 3.9 mm -61.14 -32.63 53.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -174.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.53 -41.97 68.51 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.757 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.2 mm-40 -58.44 -50.49 73.52 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 176.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.78 -48.78 65.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.703 0.764 . . . . 0.0 110.76 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.859 HG13 HG21 ' A' ' 128' ' ' ILE . 30.2 mm -58.82 -34.04 51.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.505 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -77.7 -31.28 52.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.39 0.614 . . . . 0.0 110.523 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.617 ' O ' HG21 ' A' ' 40' ' ' VAL . 67.3 t90 -68.2 -41.49 81.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.765 HH22 ' HB2' ' A' ' 61' ' ' ASP . 12.7 mmt85 -50.78 -31.87 18.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.339 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 27.0 t-20 -81.81 -44.02 17.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.466 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.792 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 38.1 m170 -61.8 -33.53 74.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.766 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 t -59.36 -28.77 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.898 0.856 . . . . 0.0 110.134 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG21 ' CE2' ' A' ' 114' ' ' TYR . 27.0 mm -85.84 -63.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.219 -174.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.442 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -47.47 -51.67 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.939 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' HB2' ' HZ3' ' A' ' 45' ' ' LYS . 4.9 m-85 -93.93 -8.0 41.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.22 -173.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.42 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.9 t-20 56.21 55.39 6.78 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.724 -171.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.792 ' HZ2' ' HB3' ' A' ' 39' ' ' HIS . 63.3 mttp -73.61 -139.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.505 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -135.83 146.07 47.12 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 177.004 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.2 tp -82.86 -27.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.257 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 p -83.78 -13.14 54.59 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.135 0.969 . . . . 0.0 108.556 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.1 t -82.43 82.52 7.84 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.571 -1.649 . . . . 0.0 110.706 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.6 p -171.86 -171.42 0.88 Allowed 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.568 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -106.55 -166.04 22.67 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.845 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.773 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 8.7 mmt180 -70.99 -41.95 70.27 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.103 0.561 . . . . 0.0 111.674 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD21 HD22 ' A' ' 29' ' ' LEU . 3.2 tt -51.94 -48.1 64.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.239 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.631 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 3.0 m-30 -68.18 -39.07 82.61 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.568 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 68.6 mmtt -50.91 -37.41 43.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.671 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.6 tp10 -72.25 -39.91 68.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.484 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -55.77 -37.0 67.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.826 172.619 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.506 ' HA ' HH21 ' A' ' 37' ' ' ARG . 48.9 mtt -58.55 -34.46 71.05 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.883 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 55.8 mttt -70.09 -15.21 62.95 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.5 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.617 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -78.07 -14.37 59.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.945 0.879 . . . . 0.0 109.759 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.765 ' HB2' HH22 ' A' ' 37' ' ' ARG . 8.0 t70 -68.26 -40.65 81.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 171.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.57 ' HA ' HD13 ' A' ' 65' ' ' ILE . 9.5 t70 -74.89 -43.05 56.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.27 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.617 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.2 p -60.9 -35.41 64.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.143 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.2 -43.78 60.78 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.218 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.593 HG13 ' O ' ' A' ' 61' ' ' ASP . 59.3 mt -56.51 -34.87 42.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.487 0.661 . . . . 0.0 110.481 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -71.65 -42.43 67.57 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 -73.05 0.37 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.62 -173.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.92 -39.22 76.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.623 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.589 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 107.31 144.83 11.72 Favored Glycine 0 N--CA 1.425 -2.049 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.935 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.45 HG13 HD22 ' A' ' 74' ' ' ASN . 10.5 tp -58.34 -44.76 89.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.888 -177.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -56.69 -53.51 56.87 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.143 0.497 . . . . 0.0 111.46 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.82 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.93 -41.74 95.26 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.74 -177.787 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.765 HG12 HD12 ' A' ' 104' ' ' ILE . 20.3 mt -59.55 -47.76 89.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.44 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.45 HD22 HG13 ' A' ' 70' ' ' ILE . 94.9 m-20 -55.64 -46.13 77.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.958 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -71.15 -39.42 71.96 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.811 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.833 HG22 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -67.72 -51.9 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.387 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.873 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.1 -51.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.639 0.733 . . . . 0.0 111.03 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -56.43 -40.15 74.26 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.159 -1.382 . . . . 0.0 112.341 177.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.36 73.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.376 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.833 ' HE3' HG22 ' A' ' 76' ' ' ILE . 10.3 mmt -45.63 -34.5 3.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.171 0.51 . . . . 0.0 111.206 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.675 ' HB3' HG23 ' A' ' 117' ' ' ILE . 14.6 m -77.53 -19.11 56.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.729 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.11 -23.0 26.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.741 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.53 11.72 53.0 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.193 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -136.4 124.66 23.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -162.35 -177.32 5.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.278 0.561 . . . . 0.0 111.846 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.465 ' O ' ' HB ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -124.52 -100.32 0.4 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.262 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.465 ' HB ' ' O ' ' A' ' 86' ' ' TYR . 1.6 mp 74.7 137.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.36 0.6 . . . . 0.0 111.703 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -112.97 148.02 35.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -88.59 102.44 14.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.006 0.431 . . . . 0.0 111.209 -174.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.8 p -81.33 120.14 24.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -131.84 -65.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.684 0.754 . . . . 0.0 110.071 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.84 50.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.694 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -120.46 -84.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.54 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -156.52 164.85 37.74 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HA ' HD13 ' A' ' 98' ' ' LEU . 51.7 tt0 -56.94 -33.53 67.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 173.355 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.36 -34.46 76.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -34.81 64.05 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 95' ' ' GLN . 91.9 mt -62.66 -44.09 97.14 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.847 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.403 ' HB3' HG13 ' A' ' 63' ' ' VAL . 10.7 m-30 -70.66 -38.7 73.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 111.577 174.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.511 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.5 -34.51 69.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.335 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.441 ' O ' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -68.56 -26.0 65.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -177.053 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.15 -54.71 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.293 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -65.56 -38.64 94.93 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.814 -175.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.765 HD12 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -58.73 -43.34 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.586 ' HA ' HD11 ' A' ' 108' ' ' ILE . 34.6 t -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.35 -37.95 71.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HZ3' ' CG ' ' A' ' 61' ' ' ASP . 9.8 mmtm -64.26 -36.89 85.56 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.429 0.633 . . . . 0.0 110.506 177.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.873 ' HA ' HG23 ' A' ' 77' ' ' VAL . 40.2 mt -66.37 -50.13 70.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.79 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.416 HG23 ' HA ' ' A' ' 106' ' ' ALA . 8.3 t -63.8 -35.45 80.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.022 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.457 ' HA ' ' HA ' ' A' ' 38' ' ' ASN . 14.6 pt-20 -74.95 -34.92 62.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.448 -177.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -54.45 -45.41 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 110.704 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.562 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.2 m0 -59.97 -18.86 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.441 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -55.65 -58.29 14.69 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 114.27 0.468 . . . . 0.0 114.27 -172.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.45 ' CE2' HG21 ' A' ' 41' ' ' ILE . 34.5 m-85 -55.2 -48.22 74.17 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -164.467 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.513 ' CG ' HG12 ' A' ' 117' ' ' ILE . 9.0 ptmm? -112.32 7.67 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.871 -0.732 . . . . 0.0 112.389 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 59.58 81.96 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 -173.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.675 HG23 ' HB3' ' A' ' 81' ' ' SER . 6.9 mt -99.78 158.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.316 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.403 ' N ' HG22 ' A' ' 117' ' ' ILE . 8.6 t 84.05 0.03 0.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.669 172.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 72.83 -41.74 0.51 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.935 0.494 . . . . 0.0 112.187 174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -70.63 80.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.318 0.58 . . . . 0.0 110.995 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 121' ' ' ARG . 33.2 mtm180 -82.02 78.73 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.065 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 67.1 1.41 2.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.628 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.62 -36.21 82.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 14.2 m -91.54 5.41 49.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.993 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 124' ' ' SER . 9.5 mp 69.0 -63.84 0.35 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.472 0.709 . . . . 0.0 111.311 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.53 -36.61 1.0 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.622 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 60.63 33.05 20.41 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.362 0.601 . . . . 0.0 111.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.859 HG21 HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -74.13 -32.34 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.428 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.585 ' H ' HD12 ' A' ' 128' ' ' ILE . 4.1 p -67.78 -24.24 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.351 0.596 . . . . 0.0 110.057 174.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.85 -24.62 44.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.67 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.441 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -84.24 -23.93 30.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.363 0.601 . . . . 0.0 109.987 -178.271 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.653 ' SD ' HG13 ' A' ' 30' ' ' ILE . 24.5 ptm -100.73 -176.73 3.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.24 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.559 ' O ' HD13 ' A' ' 137' ' ' ILE . 11.3 p -114.25 -177.18 3.07 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.766 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.5 p-10 -83.54 -30.1 27.35 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.484 ' O ' HD12 ' A' ' 139' ' ' ILE . 34.7 t70 -75.02 -19.4 60.07 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.565 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.497 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 19.3 t-20 -75.18 -29.73 60.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.766 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mp -59.33 -41.3 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.869 175.097 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.485 ' O ' HD13 ' A' ' 142' ' ' LEU . 35.6 m-80 -69.39 -44.42 71.49 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.991 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.484 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.6 mt -61.04 -39.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.618 0.723 . . . . 0.0 109.541 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.662 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.96 -51.76 65.65 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.712 -178.89 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.565 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.8 mm -51.39 -45.97 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.485 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -65.98 -49.46 67.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.19 -175.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.11 -46.05 86.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.042 0.925 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.671 HD23 ' HG2' ' A' ' 56' ' ' GLU . 63.2 mt -67.36 -40.74 85.82 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.565 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 25.8 mt-10 -51.39 -30.49 19.22 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.914 0.758 . . . . 0.0 112.075 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.461 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 30.6 mtpt -56.21 -35.94 67.87 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.357 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.461 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -117.06 -13.41 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.895 0.855 . . . . 0.0 109.894 -178.374 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.685 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -94.22 174.99 6.87 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 113.647 -1.615 . . . . 0.0 110.53 179.366 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.249 1.073 0 O-C-N 123.758 0.661 . . . . 0.0 110.185 -172.072 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.782 0.325 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.1 77.5 5.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.813 0.339 . . . . 0.0 111.123 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.0 m 68.2 -79.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.453 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.969 ' HD2' ' HA ' ' A' ' 43' ' ' PHE . 5.7 ttmm -172.14 147.55 2.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.845 HD13 ' H ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -153.85 -61.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.702 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.845 ' H ' HD13 ' A' ' 5' ' ' LEU . 4.3 m-20 -103.91 65.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.482 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 96.9 m-85 -136.63 129.49 30.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.259 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -101.28 -68.38 0.82 Allowed 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -174.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.554 ' HB3' ' HE1' ' A' ' 39' ' ' HIS . 41.2 t0 49.59 48.04 21.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.516 1.135 . . . . 0.0 109.417 -172.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.485 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -71.96 62.64 0.45 Allowed 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.11 -1.405 . . . . 0.0 111.824 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -48.82 -44.82 15.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.535 172.611 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.686 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.83 147.21 9.31 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.685 0.755 . . . . 0.0 112.49 176.093 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -113.25 -42.9 3.43 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.275 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.688 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -84.88 -5.78 59.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.982 -178.282 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.666 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -40.79 -49.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.326 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.557 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 25.2 t70 -115.74 19.94 14.91 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.645 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.688 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.6 t0 -53.19 -33.39 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.749 -172.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.581 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.1 t70 72.6 -25.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.047 0.842 . . . . 0.0 111.648 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.582 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.4 pttm -121.56 171.89 8.49 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.226 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.653 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.0 tp -80.74 139.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.03 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.04 -170.13 1.84 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 121.594 0.711 . . . . 0.0 111.646 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.401 ' O ' HG12 ' A' ' 26' ' ' ILE . 34.1 t -73.22 163.11 28.58 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.468 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.556 ' O ' HG23 ' A' ' 137' ' ' ILE . 78.3 mtm180 -56.45 -40.84 75.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.074 0.94 . . . . 0.0 109.29 168.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.02 -5.57 39.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.843 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.467 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.2 t -100.61 -25.95 13.99 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.588 -173.19 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.571 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 21.9 mm -79.96 -9.75 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.436 HD12 ' CD1' ' A' ' 137' ' ' ILE . 38.8 mm -67.7 -56.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.115 -1.857 . . . . 0.0 109.483 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.72 -32.18 63.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.678 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.796 HD23 HD21 ' A' ' 53' ' ' LEU . 21.1 tp -50.99 -50.1 58.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.053 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.56 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.6 mm -58.9 -35.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.992 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.815 ' HA ' HG22 ' A' ' 128' ' ' ILE . 36.6 t70 -70.35 -42.47 71.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.571 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.686 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.5 mt-10 -58.65 -50.99 71.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.391 0.139 . . . . 0.0 111.103 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -64.45 -55.95 17.45 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.007 0.432 . . . . 0.0 111.793 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 46.7 mm -57.41 -29.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.07 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.7 m -76.58 -36.94 57.27 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.385 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.608 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.5 t90 -67.24 -38.96 86.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.66 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.54 -30.22 29.48 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.09 -47.36 12.67 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.612 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 1.2 m-70 -52.08 -41.89 62.76 Favored 'General case' 0 CA--C 1.527 0.06 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.9 t -57.59 -26.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 122.078 0.942 . . . . 0.0 110.255 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 114' ' ' TYR . 22.4 mm -90.49 -62.91 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 CA-C-N 114.526 -1.216 . . . . 0.0 112.354 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -51.76 -51.1 29.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.139 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.969 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 2.7 m-85 -87.4 -11.23 49.85 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.343 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.44 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 14.6 t-20 54.9 46.18 24.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.51 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.612 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 22.9 mtpp -72.46 -141.5 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.934 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.518 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 18.8 m-20 -133.03 138.21 46.71 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.332 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.2 tp -80.3 -27.76 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.437 1.113 . . . . 0.0 110.038 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.412 HG23 HG22 ' A' ' 47' ' ' ILE . 51.2 p -78.59 -16.44 57.4 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.574 -177.348 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.518 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.7 t -89.44 82.89 6.38 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.222 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 p -169.65 -169.23 0.88 Allowed 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.813 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.557 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.34 -167.63 22.9 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.581 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 50.5 mtt180 -67.69 -47.04 70.54 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.454 0.645 . . . . 0.0 111.303 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.796 HD21 HD23 ' A' ' 29' ' ' LEU . 5.3 tt -51.25 -44.69 61.81 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.871 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.666 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-30 -69.9 -31.91 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 60.0 mmtt -62.08 -32.58 73.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.43 0.633 . . . . 0.0 109.761 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.419 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 79.4 mm-40 -71.23 -41.43 70.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.896 -177.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.504 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -55.41 -37.09 67.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.739 173.106 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.522 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.9 mtt -59.32 -31.89 69.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.137 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.419 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 53.6 mttt -74.74 -12.89 60.52 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.944 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.632 ' O ' HG11 ' A' ' 63' ' ' VAL . 7.4 m-30 -80.98 -14.54 57.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.026 0.917 . . . . 0.0 109.371 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.66 ' HB2' HH22 ' A' ' 37' ' ' ARG . 7.9 t70 -66.63 -41.05 88.93 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.64 ' HA ' HD12 ' A' ' 65' ' ' ILE . 10.2 t70 -75.27 -42.8 54.21 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.502 -2.136 . . . . 0.0 110.308 -173.333 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.4 p -60.71 -34.94 60.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.094 -1.412 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.96 61.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.244 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.64 HD12 ' HA ' ' A' ' 62' ' ' ASP . 56.7 mt -58.46 -35.6 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.759 0.79 . . . . 0.0 110.459 171.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -70.92 -39.37 72.75 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.665 ' HE2' ' HG ' ' A' ' 97' ' ' SER . 0.5 OUTLIER -83.47 -74.19 0.38 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.32 -175.433 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -71.64 -40.38 69.76 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.183 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 106.47 139.9 9.64 Favored Glycine 0 N--CA 1.43 -1.741 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.059 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.605 ' HB ' HG21 ' A' ' 65' ' ' ILE . 11.0 tp -57.04 -44.14 82.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.951 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -51.46 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.777 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -65.96 -40.41 91.27 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.112 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.771 HG12 HD13 ' A' ' 104' ' ' ILE . 43.8 mt -57.32 -47.37 84.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.057 0.456 . . . . 0.0 110.357 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -53.47 -46.85 70.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.939 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.57 -37.32 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.766 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -70.94 -53.9 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.629 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.787 HG22 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -53.94 -51.07 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.75 0.786 . . . . 0.0 111.613 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -59.12 -39.64 82.95 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.408 178.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 84' ' ' ASP . . . -58.77 -47.44 84.68 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.044 0.45 . . . . 0.0 110.486 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.766 ' HE2' HG23 ' A' ' 76' ' ' ILE . 11.1 mmt -48.9 -36.53 17.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.188 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.575 ' HB2' HG21 ' A' ' 117' ' ' ILE . 83.2 p -68.48 -24.75 64.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 110.449 -170.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.812 ' HA ' ' HB3' ' A' ' 119' ' ' GLU . 46.4 mt-10 -102.44 4.54 38.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.596 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.822 ' HA3' ' HA ' ' A' ' 120' ' ' SER . . . 63.63 37.47 94.79 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.968 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.435 ' O ' ' HB2' ' A' ' 79' ' ' ALA . 34.9 t70 -148.43 110.44 4.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.535 ' ND1' HD13 ' A' ' 87' ' ' ILE . 24.5 p80 -149.14 -167.58 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 0.0 111.859 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.51 ' HD1' ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -123.44 -74.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.098 -175.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.535 HD13 ' ND1' ' A' ' 85' ' ' HIS . 1.5 mp 73.33 127.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.44 0.638 . . . . 0.0 111.348 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -124.03 -174.38 2.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.132 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -89.67 161.54 16.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.34 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.444 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 34.3 p -87.4 -5.29 58.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.349 -175.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 90' ' ' THR . 65.4 tttp 73.72 -75.06 0.08 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.118 0.886 . . . . 0.0 109.695 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.55 158.67 3.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.85 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -107.78 55.72 0.64 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 2.3 t70 -98.43 165.06 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.144 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.518 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.5 tt0 -55.08 -39.02 68.82 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.52 -40.96 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.719 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.665 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 1.2 m -70.3 -36.21 74.19 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.467 178.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.0 mt -57.35 -54.21 49.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.205 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.516 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 11.4 m-30 -65.61 -38.96 90.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.917 0.389 . . . . 0.0 111.305 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.458 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.66 -32.82 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.481 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.547 ' O ' HD11 ' A' ' 131' ' ' LEU . 48.6 m -67.13 -32.25 73.24 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' HD11 ' A' ' 102' ' ' ILE . 2.0 mp -71.78 -53.72 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.381 178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.51 95.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.83 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.771 HD13 HG12 ' A' ' 73' ' ' ILE . 5.9 tp -59.61 -39.19 78.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.066 0.46 . . . . 0.0 109.839 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.507 ' HA ' HD11 ' A' ' 108' ' ' ILE . 42.2 t -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.43 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.7 -35.57 75.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 111.039 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.513 ' HE2' ' OD1' ' A' ' 61' ' ' ASP . 24.1 mttm -73.99 -27.91 61.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.569 . . . . 0.0 111.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.787 ' HA ' HG22 ' A' ' 77' ' ' VAL . 51.8 mt -68.64 -47.54 76.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.897 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 7.3 t -66.0 -36.32 82.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.355 -178.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.439 ' O ' HG21 ' A' ' 41' ' ' ILE . 10.1 pt-20 -70.79 -44.82 65.82 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -50.83 -36.09 35.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.93 0.492 . . . . 0.0 111.99 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.43 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 49.2 m0 -71.96 -19.37 61.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.7 98.34 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.171 -0.537 . . . . 0.0 114.115 -168.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.56 ' CE1' HG22 ' A' ' 41' ' ' ILE . 18.7 m-85 -51.51 -61.35 2.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.085 0.442 . . . . 0.0 112.129 -170.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -111.6 15.74 20.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.618 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.3 71.8 0.54 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.421 0.629 . . . . 0.0 110.849 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.575 HG21 ' HB2' ' A' ' 81' ' ' SER . 17.5 mt -85.47 144.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.266 -175.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.554 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 15.9 t 167.83 83.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.145 0.903 . . . . 0.0 110.007 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.812 ' HB3' ' HA ' ' A' ' 82' ' ' GLU . 13.6 tp10 -70.81 -42.13 70.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.822 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 6.1 t 53.26 69.87 0.65 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.889 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.62 -60.33 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.89 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -169.27 -27.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 0.0 110.399 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.64 58.61 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.333 0.587 . . . . 0.0 110.695 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.5 t -88.09 81.82 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.961 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.68 125.96 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 142.12 98.12 0.3 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -105.51 164.69 11.69 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.815 HG22 ' HA ' ' A' ' 31' ' ' ASP . 58.7 mt -71.81 -73.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.431 HG23 ' HB2' ' A' ' 31' ' ' ASP . 1.3 p -61.89 -29.48 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.45 -6.51 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -91.17 -9.17 46.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.972 0.415 . . . . 0.0 111.516 -173.567 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.806 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? -145.83 172.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.623 ' O ' HD11 ' A' ' 137' ' ' ILE . 20.0 p -126.28 155.49 41.84 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -168.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.841 ' HA ' HD13 ' A' ' 137' ' ' ILE . 6.9 t70 -48.62 -31.08 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.781 0.676 . . . . 0.0 111.069 169.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.0 -29.56 64.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.806 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 10.5 t-20 -78.25 -27.59 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.841 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.8 -37.23 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.711 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.509 ' O ' HD11 ' A' ' 142' ' ' LEU . 22.8 m-80 -63.65 -44.55 93.5 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.453 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.656 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.44 -43.37 96.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.371 -0.832 . . . . 0.0 108.8 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.673 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.7 -52.16 64.37 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.185 -1.371 . . . . 0.0 110.843 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.576 ' HA ' HD12 ' A' ' 20' ' ' ILE . 27.3 mm -51.68 -43.68 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 109.899 176.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.509 HD11 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.15 -48.72 67.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.648 -175.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.516 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 73.0 t80 -56.51 -47.72 78.71 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.199 1.0 . . . . 0.0 110.312 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.673 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 39.9 mt -67.1 -42.42 84.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.335 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 14.7 mt-10 -55.23 -24.4 27.37 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 124.092 0.87 . . . . 0.0 112.525 -176.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 6.4 mmmm -47.74 -39.05 16.72 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.271 170.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -118.47 -11.46 9.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.795 0.807 . . . . 0.0 110.319 176.488 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.665 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -102.1 174.64 5.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.13 -1.395 . . . . 0.0 112.411 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.597 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 18.2 t-20 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 113.739 -1.573 . . . . 0.0 108.727 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.971 0.415 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.87 103.28 15.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.181 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -79.92 64.87 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.344 0.592 . . . . 0.0 110.477 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.633 ' HZ2' ' HB3' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -147.16 24.86 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.367 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.2 mp -110.56 -157.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.662 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 62.2 73.54 0.46 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.44 0.638 . . . . 0.0 109.863 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.574 ' HB3' ' HB3' ' A' ' 43' ' ' PHE . 73.9 m-85 -92.83 121.1 33.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.426 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 32.8 mt-10 -131.15 -78.32 0.52 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.346 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.413 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.6 m-20 52.36 32.68 11.5 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.404 -173.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.53 73.61 2.55 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 122.988 1.375 . . . . 0.0 111.312 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -65.79 -43.76 93.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-N 111.597 -2.547 . . . . 0.0 111.534 175.82 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.557 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.71 141.61 16.43 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.736 0.779 . . . . 0.0 112.706 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -104.13 -42.31 5.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.524 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.971 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.02 -10.54 59.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.36 -177.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.577 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.7 p -47.25 -48.43 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.032 175.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.547 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 26.8 t70 -115.55 20.57 14.63 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.391 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.971 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 37.2 t0 -49.62 -40.76 40.31 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.069 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.607 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 8.3 t70 74.45 -19.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.956 -1.475 . . . . 0.0 111.522 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.549 ' C ' HD12 ' A' ' 148' ' ' LEU . 60.5 pttt -125.93 170.81 11.31 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.84 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.739 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 4.9 tp -86.51 138.63 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.145 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -162.51 0.81 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.234 0.54 . . . . 0.0 111.544 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.12 162.8 18.89 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.481 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.3 mtt180 -59.26 -38.81 81.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.168 0.985 . . . . 0.0 108.919 169.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' HA ' HG13 ' A' ' 27' ' ' ILE . 22.4 t70 -72.26 -4.68 31.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.943 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.519 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.73 -28.27 16.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -176.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.488 ' HB ' HG22 ' A' ' 137' ' ' ILE . 22.1 mm -78.37 -8.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.626 1.203 . . . . 0.0 108.041 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.4 HG13 ' HA ' ' A' ' 24' ' ' ASP . 45.2 mm -72.2 -56.01 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.954 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.471 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 m-20 -72.59 -31.62 65.35 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 122.513 1.149 . . . . 0.0 108.441 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.772 HD23 HD22 ' A' ' 53' ' ' LEU . 33.7 tp -51.03 -50.16 59.13 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 112.544 -2.116 . . . . 0.0 112.952 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.86 -35.04 49.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.5 -47.42 60.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 4.2 mm-40 -58.51 -51.42 69.96 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.545 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 77.0 t80 -60.75 -56.7 18.06 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.628 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.36 -33.7 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.437 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 79.1 m -75.69 -35.94 60.17 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 111.019 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.638 ' O ' HG22 ' A' ' 40' ' ' VAL . 73.6 t90 -67.26 -39.8 86.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.994 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 37' ' ' ARG . 16.9 mmm180 -58.97 -20.85 56.41 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.995 0.426 . . . . 0.0 110.247 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.437 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.5 t-20 -85.23 -46.09 11.37 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.264 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.675 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 11.6 m170 -52.57 -39.82 61.94 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 16.7 t -59.09 -24.05 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.732 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.575 HG21 ' CE1' ' A' ' 114' ' ' TYR . 20.5 mm -93.36 -65.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.77 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -48.15 50.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.117 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 2.5 m-85 -89.6 -10.05 47.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.454 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.477 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.1 t-20 53.0 50.88 16.95 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.317 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.675 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 57.3 mtpt -75.34 -136.97 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.783 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -135.44 149.63 49.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.429 0.633 . . . . 0.0 110.723 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.8 tp -79.75 -29.8 13.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.403 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 47' ' ' ILE . 32.2 p -79.93 -15.32 57.54 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.828 -177.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -74.74 82.19 2.09 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.13 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.478 ' SG ' ' HE2' ' A' ' 58' ' ' MET . 26.7 p 178.1 -173.47 0.14 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.422 -177.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.547 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -115.26 -166.74 15.1 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.303 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.607 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.0 mmt180 -63.21 -47.44 82.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.254 0.622 . . . . 0.0 111.597 -171.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.772 HD22 HD23 ' A' ' 29' ' ' LEU . 6.3 tt -52.34 -47.64 65.95 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.919 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.577 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-85 -67.51 -32.62 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -174.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 55.4 mmtt -60.45 -35.11 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -72.5 -37.19 68.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.843 -176.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.513 HD22 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -55.69 -38.26 69.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 173.915 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.499 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 41.6 mtt -59.39 -34.6 72.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.863 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.448 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 47.6 mttt -73.31 -11.25 60.43 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.751 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' O ' HG11 ' A' ' 63' ' ' VAL . 8.9 m-30 -76.92 -13.51 59.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.107 0.956 . . . . 0.0 109.316 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.623 ' O ' HG13 ' A' ' 65' ' ' ILE . 5.9 t70 -69.01 -39.56 79.23 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.788 171.13 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.797 ' HA ' HD13 ' A' ' 65' ' ' ILE . 13.2 t70 -75.42 -43.72 48.37 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.711 -2.04 . . . . 0.0 110.69 -173.508 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.584 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.8 p -60.05 -34.43 56.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.032 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.6 64.09 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.966 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.797 HD13 ' HA ' ' A' ' 62' ' ' ASP . 53.4 mt -57.66 -35.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.151 0.501 . . . . 0.0 110.497 172.726 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -68.07 -49.32 62.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.46 0.648 . . . . 0.0 110.081 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -70.23 0.43 Allowed 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.66 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -71.74 -37.26 70.58 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.202 -178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.654 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 100.17 142.46 13.09 Favored Glycine 0 N--CA 1.431 -1.694 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.773 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -43.03 58.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 124.177 0.575 . . . . 0.0 109.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.86 -52.96 63.07 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.106 0.479 . . . . 0.0 111.197 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.824 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -78.61 -2.5 39.26 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.636 -176.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.654 HG13 ' O ' ' A' ' 69' ' ' GLY . 12.6 mt -90.4 -48.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 168.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -54.69 -47.74 73.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.619 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.454 ' HG3' ' HZ2' ' A' ' 72' ' ' LYS . 7.9 mm-40 -63.28 -42.19 99.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.111 -179.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.872 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -72.7 -53.5 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.477 -175.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.59 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -53.22 -52.38 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.76 0.79 . . . . 0.0 111.626 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.83 -39.63 85.72 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.432 -1.258 . . . . 0.0 112.328 179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.54 96.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.945 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.872 ' HE2' HG23 ' A' ' 76' ' ' ILE . 18.4 mmt -42.68 -41.25 3.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.328 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.648 ' HB2' ' CG2' ' A' ' 117' ' ' ILE . 71.2 p -69.35 -10.83 59.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.367 -170.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -92.22 -5.15 53.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.8 76.71 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.98 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.71 -76.29 0.57 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.528 ' CD2' ' HA ' ' A' ' 80' ' ' MET . 32.4 p80 44.22 -158.26 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 169.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.616 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -175.73 155.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.276 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.558 HD11 ' O ' ' A' ' 86' ' ' TYR . 7.1 mm -148.49 131.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -82.41 118.72 23.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.742 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -67.77 163.38 21.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 p -65.6 115.62 5.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.73 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.18 -68.9 0.21 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.592 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.9 m -103.04 135.93 38.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.203 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -86.07 70.38 10.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.541 . . . . 0.0 110.3 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.451 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.6 m-20 -110.43 160.58 16.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.931 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.507 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.0 tt0 -49.0 -42.61 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.12 -40.1 92.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.847 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -37.9 76.35 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.047 0.451 . . . . 0.0 109.837 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.507 HD12 ' HA ' ' A' ' 95' ' ' GLN . 92.5 mt -58.76 -54.14 50.5 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.337 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.481 ' HB3' HG12 ' A' ' 63' ' ' VAL . 10.1 m-30 -62.76 -39.78 95.25 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -33.52 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.838 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.51 HG23 ' HG ' ' A' ' 131' ' ' LEU . 57.2 m -67.77 -33.16 74.29 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.654 HG13 HD22 ' A' ' 131' ' ' LEU . 2.0 mp -71.38 -54.84 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.348 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -64.07 -40.48 98.18 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.857 -0.687 . . . . 0.0 114.123 -174.281 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.65 HD12 HG12 ' A' ' 73' ' ' ILE . 6.3 tp -57.93 -41.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 109.93 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.791 ' HA ' HD13 ' A' ' 108' ' ' ILE . 74.8 m -73.91 -25.52 60.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.321 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.43 -35.24 73.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.332 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.41 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 9.0 mmtm -63.04 -30.26 71.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.453 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.804 HG12 ' HG3' ' A' ' 80' ' ' MET . 57.8 mt -75.71 -47.88 31.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.286 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.9 t -63.05 -36.62 84.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.069 -178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' O ' HG23 ' A' ' 41' ' ' ILE . 9.6 pt-20 -71.89 -42.58 66.62 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.147 -0.346 . . . . 0.0 111.892 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -55.85 -33.06 64.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.833 0.349 . . . . 0.0 111.741 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -71.24 -19.85 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.9 79.0 Favored Glycine 0 C--O 1.225 -0.419 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.978 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.575 ' CE1' HG21 ' A' ' 41' ' ' ILE . 17.9 m-85 -52.85 -58.77 5.82 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -170.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.409 ' HG3' HG12 ' A' ' 117' ' ' ILE . 23.7 pttm -112.24 12.48 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 61.59 80.33 0.22 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.312 0.577 . . . . 0.0 110.957 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.648 ' CG2' ' HB2' ' A' ' 81' ' ' SER . 3.5 mt -103.33 157.14 5.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.548 ' HB2' ' HA ' ' A' ' 81' ' ' SER . 8.1 t 61.16 78.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.333 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.96 60.69 5.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 0.0 109.527 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -107.47 59.11 0.62 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.261 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -82.93 63.52 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.742 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -102.55 -77.06 0.56 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.56 -64.84 1.01 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 m -86.73 116.76 25.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.435 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.9 tp -135.82 20.03 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.762 0.791 . . . . 0.0 108.957 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.22 -175.45 34.65 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.077 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.65 -89.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.203 0.601 . . . . 0.0 111.017 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.426 HG23 ' O ' ' A' ' 128' ' ' ILE . 12.3 mt 52.4 28.58 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 112.027 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.3 p -65.28 -22.92 66.91 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.787 -0.57 . . . . 0.0 111.09 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.62 -10.33 3.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.223 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.654 HD22 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -77.78 -12.03 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 109.737 178.327 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.731 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? -143.38 -168.17 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.712 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.684 ' O ' HD12 ' A' ' 137' ' ' ILE . 36.9 p -139.34 154.8 47.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.415 -174.311 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.61 ' HA ' HD11 ' A' ' 137' ' ' ILE . 16.1 t70 -48.38 -31.64 6.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.589 0.709 . . . . 0.0 110.978 165.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 139' ' ' ILE . 30.2 t70 -71.68 -26.99 62.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.585 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.731 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 10.7 t-20 -79.78 -33.62 40.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.22 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.684 HD12 ' O ' ' A' ' 133' ' ' THR . 0.8 OUTLIER -56.69 -39.55 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 179.467 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.545 ' O ' HD12 ' A' ' 142' ' ' LEU . 20.5 m-80 -64.45 -42.93 95.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.792 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.8 mt -63.46 -40.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.584 0.706 . . . . 0.0 109.625 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.551 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.77 -50.98 66.88 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.126 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.543 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.8 mm -51.13 -47.07 32.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.545 HD12 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -65.57 -48.94 70.66 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.096 -175.566 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -56.49 -47.69 78.72 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.962 0.887 . . . . 0.0 110.565 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.764 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 54.9 mt -67.8 -41.27 83.4 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.074 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.473 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.5 mt-10 -53.3 -24.15 10.98 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.101 0.876 . . . . 0.0 112.813 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.598 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 13.3 mmmm -48.28 -39.09 20.5 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.885 171.545 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.598 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.32 -19.81 7.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.446 1.117 . . . . 0.0 110.157 178.533 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.764 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -83.78 176.04 9.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.725 175.699 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.0 -170.158 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.44 -71.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m 70.41 -59.09 0.53 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 168.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -96.82 125.09 41.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.501 0.667 . . . . 0.0 111.568 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -150.08 -163.93 1.9 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.143 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.33 56.94 2.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.002 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.408 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 49.5 m-85 -121.41 178.92 4.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.597 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.562 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 27.0 mt-10 -136.65 -58.47 0.73 Allowed 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.636 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.12 38.7 29.64 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 124.362 1.039 . . . . 0.0 109.669 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.76 88.17 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.04 1.4 . . . . 0.0 112.392 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -41.21 59.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 CA-C-N 111.748 -2.478 . . . . 0.0 111.048 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.628 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -52.91 145.89 11.85 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.656 0.741 . . . . 0.0 112.331 174.208 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -108.39 -48.53 3.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.398 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.77 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -77.34 -6.92 55.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.021 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.648 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -44.22 -47.36 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.43 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.597 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 18.0 t70 -115.67 17.89 16.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.304 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.77 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.0 t70 -53.58 -38.05 63.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.705 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.785 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 74.31 -18.53 0.41 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.452 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.606 ' C ' HD11 ' A' ' 148' ' ' LEU . 19.5 pttp -122.72 172.92 8.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 C-N-CA 123.439 0.696 . . . . 0.0 111.241 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.739 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -81.28 135.72 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.175 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -102.86 -169.79 1.71 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.562 0.696 . . . . 0.0 111.237 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -71.79 168.45 17.8 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.627 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.611 ' O ' HG22 ' A' ' 137' ' ' ILE . 90.7 mtt180 -55.49 -44.33 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.018 0.913 . . . . 0.0 109.247 168.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.69 -5.78 42.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.245 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.513 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.3 t -99.3 -24.27 14.89 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.692 -173.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.5 ' HB ' HG13 ' A' ' 137' ' ' ILE . 21.0 mm -81.21 -6.69 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 122.586 1.184 . . . . 0.0 107.918 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.452 ' HA ' ' HB3' ' A' ' 127' ' ' ASN . 44.1 mm -72.58 -55.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-N 113.134 -1.848 . . . . 0.0 110.25 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -73.05 -30.71 63.92 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 122.357 1.075 . . . . 0.0 108.479 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.576 HD23 HD23 ' A' ' 53' ' ' LEU . 24.1 tp -50.65 -49.35 57.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 112.464 -2.153 . . . . 0.0 113.192 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.458 HD11 ' HA ' ' A' ' 30' ' ' ILE . 4.1 mm -59.69 -35.7 61.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.065 -176.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.414 ' OD1' ' HA ' ' A' ' 125' ' ' LEU . 27.4 t70 -71.5 -42.04 68.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -57.97 -50.7 72.48 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.809 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -65.48 -56.97 9.5 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.9 -174.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -55.23 -33.8 31.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.819 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.422 HG23 ' CD2' ' A' ' 39' ' ' HIS . 40.4 m -77.96 -34.08 51.24 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.112 -0.368 . . . . 0.0 110.913 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.8 t90 -66.75 -36.57 82.74 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.417 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.503 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.85 -23.3 52.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.258 174.114 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -84.57 -49.59 8.45 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.63 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 15.8 m-70 -52.33 -33.94 44.91 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.65 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.5 t -67.55 -23.07 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 122.179 0.99 . . . . 0.0 109.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.599 HG22 ' CE1' ' A' ' 114' ' ' TYR . 26.4 mm -92.2 -61.21 2.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.085 -175.346 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG11 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.18 -49.2 41.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.418 -179.234 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.9 m-85 -88.53 -12.2 43.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.35 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.4 t-20 51.55 58.16 5.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.375 -171.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.63 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 5.4 mtpm? -75.76 -138.3 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.696 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 24.4 m-20 -134.63 137.17 43.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.542 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.434 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.9 tp -70.65 -28.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 122.275 1.036 . . . . 0.0 109.836 172.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.3 p -75.26 -17.03 60.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.997 -1.456 . . . . 0.0 108.919 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.517 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 30.3 t -84.44 82.22 8.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.061 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.3 p -176.06 -170.16 0.36 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.737 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.597 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -112.75 -167.71 17.23 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.858 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.785 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mtt180 -67.79 -44.61 76.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.537 0.684 . . . . 0.0 111.343 -171.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.576 HD23 HD23 ' A' ' 29' ' ' LEU . 3.9 tt -52.0 -46.26 64.84 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.098 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.648 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.2 -32.36 72.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -175.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 49.4 mmtt -63.07 -33.87 76.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.517 ' HG2' HD22 ' A' ' 144' ' ' LEU . 5.1 tp10 -72.72 -36.63 67.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.671 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.486 HD22 ' O ' ' A' ' 53' ' ' LEU . 0.3 OUTLIER -59.34 -38.18 79.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.767 173.164 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.563 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 42.6 mtt -57.34 -33.26 67.56 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.688 0.756 . . . . 0.0 109.82 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 59.3 mttt -71.18 -13.0 61.78 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.175 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.683 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -83.12 -14.34 53.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.881 0.848 . . . . 0.0 109.635 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.545 ' O ' HG13 ' A' ' 65' ' ' ILE . 20.1 t70 -67.9 -38.92 83.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 172.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.713 ' HA ' HD11 ' A' ' 65' ' ' ILE . 15.7 t70 -76.6 -41.39 46.33 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.048 -2.342 . . . . 0.0 110.532 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.683 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -62.46 -31.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.443 ' HB3' ' O ' ' A' ' 100' ' ' ALA . . . -72.96 -44.97 60.5 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.212 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.713 HD11 ' HA ' ' A' ' 62' ' ' ASP . 48.2 mt -56.62 -35.32 44.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.694 0.759 . . . . 0.0 110.411 172.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -66.98 -44.71 79.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.794 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.6 OUTLIER -82.87 -69.73 0.61 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.687 -171.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.092 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.59 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 105.76 142.08 10.89 Favored Glycine 0 N--CA 1.43 -1.708 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.123 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.425 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.3 tp -58.46 -44.78 89.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 114.883 -0.658 . . . . 0.0 110.325 -174.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.33 -51.68 68.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 120.777 0.323 . . . . 0.0 111.459 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 1.5 mmpt? -63.85 -42.96 97.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.415 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.65 HG12 HD12 ' A' ' 104' ' ' ILE . 31.3 mt -56.48 -47.16 82.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 177.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -53.26 -48.29 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.1 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.74 -39.64 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.596 0.712 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.783 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.0 OUTLIER -71.51 -52.51 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.387 -175.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 1.008 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.0 p -51.62 -52.6 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.751 0.786 . . . . 0.0 111.308 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.75 -32.67 71.96 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.04 -1.437 . . . . 0.0 112.302 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -52.15 64.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.94 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.783 ' HE2' HG23 ' A' ' 76' ' ' ILE . 9.6 mmt -48.53 -30.74 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.388 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.797 ' HB3' HG21 ' A' ' 117' ' ' ILE . 20.2 m -69.32 -21.72 63.82 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.963 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.51 2.92 56.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.583 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.12 29.32 60.69 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.956 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -160.72 126.98 4.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.033 0.417 . . . . 0.0 111.025 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 28.1 p-80 -104.51 165.95 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.494 ' H ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -126.72 12.04 7.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.487 HD13 ' CG1' ' A' ' 76' ' ' ILE . 1.2 pp -161.29 157.74 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.317 0.247 . . . . 0.0 110.843 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -110.22 138.55 46.45 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -87.88 176.06 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.294 -172.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -80.68 155.96 26.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.444 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -142.88 -76.09 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.246 0.546 . . . . 0.0 110.414 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.3 m -83.47 56.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.553 0.692 . . . . 0.0 111.7 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -121.22 -73.83 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.794 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.06 150.1 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.772 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.485 ' HA ' HD22 ' A' ' 98' ' ' LEU . 51.4 tt0 -51.56 -31.02 22.83 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.747 0.654 . . . . 0.0 111.205 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.77 -46.54 81.41 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.461 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t -65.21 -34.51 78.55 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.319 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.533 HD11 ' ND2' ' A' ' 136' ' ' ASN . 4.3 mm? -56.45 -42.01 77.44 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.461 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -73.56 -39.04 64.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.864 0.364 . . . . 0.0 111.914 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -56.89 -40.48 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.347 -174.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.572 ' HA ' HG21 ' A' ' 104' ' ' ILE . 5.3 m -66.95 -21.62 65.97 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.07 -52.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.712 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.507 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.63 -39.33 95.36 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.358 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.65 HD12 HG12 ' A' ' 73' ' ' ILE . 4.9 tp -59.96 -37.14 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.6 t -73.16 -28.57 62.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.44 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -72.55 -37.96 68.11 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.254 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.574 ' HZ1' ' HB2' ' A' ' 107' ' ' LYS . 0.3 OUTLIER -70.36 -30.13 66.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.601 0.715 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 1.008 ' HA ' HG23 ' A' ' 77' ' ' VAL . 31.7 mt -71.58 -50.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.151 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 t -63.74 -35.9 82.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.02 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.553 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.8 pt-20 -68.75 -39.05 80.49 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 122.165 -0.334 . . . . 0.0 111.82 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -56.65 -30.77 63.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.404 0.621 . . . . 0.0 111.053 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.421 ' CZ3' ' HB3' ' A' ' 121' ' ' ARG . 51.7 m0 -72.39 -19.31 61.63 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.436 ' HA2' HG11 ' A' ' 42' ' ' VAL . . . -71.21 -45.42 49.1 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.083 -0.579 . . . . 0.0 114.205 -169.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.599 ' CE1' HG22 ' A' ' 41' ' ' ILE . 17.0 m-85 -57.19 -59.1 5.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.238 0.519 . . . . 0.0 111.878 -170.577 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.55 ' HE2' HD12 ' A' ' 117' ' ' ILE . 19.8 pttm -109.61 22.08 16.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? 60.09 69.31 0.71 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.912 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.797 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.6 mt -104.53 156.06 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.731 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t 53.97 88.52 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 O-C-N 124.104 0.877 . . . . 0.0 112.018 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -83.18 9.2 11.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -99.45 16.16 24.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.43 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.421 ' HB3' ' CZ3' ' A' ' 112' ' ' TRP . 26.0 ptt-85 -80.02 39.15 0.43 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.24 0.543 . . . . 0.0 112.187 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -113.7 39.23 2.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.45 -63.1 1.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.72 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.8 m -152.6 124.3 7.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.558 0.218 . . . . 0.0 110.482 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.414 ' HA ' ' OD1' ' A' ' 31' ' ' ASP . 7.2 mp -97.85 61.05 1.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.148 0.499 . . . . 0.0 109.865 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -158.39 -161.27 10.89 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.588 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.452 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 5.4 p30 -82.46 -46.15 13.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.87 0.335 . . . . 0.0 110.55 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.498 ' HA ' ' O ' ' A' ' 132' ' ' MET . 31.0 mt -79.54 73.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.6 p -75.87 -70.26 0.45 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.61 179.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -72.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.095 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.473 HD23 ' CG2' ' A' ' 101' ' ' THR . 0.8 OUTLIER -100.7 -39.56 7.79 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -169.358 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.726 ' HE3' ' HB3' ' A' ' 136' ' ' ASN . 3.2 ppp? -83.44 163.04 20.78 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.402 -156.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.419 ' OG1' ' HB3' ' A' ' 135' ' ' ASP . 1.5 p -142.29 165.8 26.44 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.97 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.885 ' HA ' HD12 ' A' ' 137' ' ' ILE . 2.0 p-10 -50.01 -27.46 5.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.909 171.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.419 ' HB3' ' OG1' ' A' ' 133' ' ' THR . 8.4 t70 -69.64 -32.5 71.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.726 ' HB3' ' HE3' ' A' ' 132' ' ' MET . 12.7 t-20 -79.07 -28.01 43.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.256 -175.079 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 134' ' ' ASP . 1.3 mp -54.06 -39.25 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.772 175.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.2 m-80 -67.04 -41.35 86.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.771 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.606 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.3 mp -61.16 -41.6 90.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.56 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.56 -51.81 60.91 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.845 -175.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.523 ' HA ' HD11 ' A' ' 20' ' ' ILE . 28.5 mm -51.52 -42.9 30.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.959 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.82 -49.33 66.13 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.651 -175.38 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.461 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 69.9 t80 -57.57 -47.22 82.68 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.942 0.877 . . . . 0.0 110.534 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.611 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 52.7 mt -66.1 -41.35 90.74 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.652 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.489 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.5 mt-10 -53.47 -25.3 15.8 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.017 0.823 . . . . 0.0 112.465 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.419 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 28.1 mmtp -48.66 -37.14 17.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.196 171.534 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.419 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.38 -10.44 7.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 122.198 0.999 . . . . 0.0 110.205 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.739 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -101.14 178.83 4.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.522 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.489 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.9 t-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.149 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.0 mtp . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.755 0.312 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.2 -25.94 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.133 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -79.12 88.2 4.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.149 0.499 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.574 ' HB3' ' OE1' ' A' ' 8' ' ' GLU . 19.7 mtpp -93.36 117.57 30.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.719 -173.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 tt -167.42 108.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.009 176.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.562 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 t70 77.68 135.85 0.06 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.868 0.73 . . . . 0.0 112.77 173.084 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 61.65 31.25 18.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.805 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.574 ' OE1' ' HB3' ' A' ' 4' ' ' LYS . 14.0 mt-10 -87.91 -76.94 0.36 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.408 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.3 m-20 -81.66 30.83 0.36 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.437 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . -64.63 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 123.003 1.382 . . . . 0.0 110.752 169.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -62.22 -44.27 98.91 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.102 0 CA-C-N 111.729 -2.487 . . . . 0.0 111.63 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.761 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.92 138.47 24.4 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.508 178.589 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -107.46 -42.22 4.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.668 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -82.45 -0.84 48.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.122 -179.007 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.633 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -44.62 -62.49 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.009 168.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -100.47 20.85 14.15 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.553 0.692 . . . . 0.0 109.657 -174.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.668 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 18.0 t70 -53.5 -36.35 61.63 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.713 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 73.93 -21.8 0.26 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.824 174.135 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' C ' HD13 ' A' ' 148' ' ' LEU . 20.8 pttp -122.61 172.34 8.47 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.466 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.654 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.5 tp -76.22 133.77 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.513 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.21 -169.3 1.74 Allowed 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 121.7 0.762 . . . . 0.0 111.922 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.7 t -72.42 161.89 30.2 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.003 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.585 ' O ' HG22 ' A' ' 137' ' ' ILE . 46.1 mtm180 -56.3 -40.52 74.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.241 1.02 . . . . 0.0 109.112 168.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.07 -6.2 44.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.107 -1.406 . . . . 0.0 110.629 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.0 t -106.22 -13.84 15.3 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.43 -170.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 18.6 mm -89.22 -5.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.31 -54.89 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.584 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.491 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.3 m-20 -71.72 -28.15 63.49 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.985 -1.462 . . . . 0.0 108.577 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.61 ' HB2' ' O ' ' A' ' 25' ' ' SER . 24.2 tp -61.3 -46.27 90.99 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.169 -169.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.5 mm -59.75 -28.99 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 -177.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.79 -43.33 55.31 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.761 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.9 mm-40 -58.63 -51.46 69.81 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.929 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.16 -56.82 14.94 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 120.763 0.316 . . . . 0.0 111.109 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mm -51.54 -41.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.534 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.421 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 53.7 m -70.98 -36.59 72.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.737 176.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.601 ' O ' HG22 ' A' ' 40' ' ' VAL . 86.6 t90 -67.82 -37.71 82.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.117 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.09 -23.17 61.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.193 0.52 . . . . 0.0 109.653 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.7 t-20 -86.53 -42.36 13.59 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -54.25 -32.85 57.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.529 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.936 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 17.2 t -70.92 -20.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 122.146 0.974 . . . . 0.0 109.835 -177.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.572 HG22 ' CE1' ' A' ' 114' ' ' TYR . 23.9 mm -95.64 -61.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 114.482 -1.236 . . . . 0.0 112.684 -174.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -52.28 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.277 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.8 m-85 -87.38 -9.21 55.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.848 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.404 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.5 t-20 54.84 49.33 18.08 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.969 -172.065 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.936 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 15.9 mtpt -67.7 -167.13 0.06 Allowed 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.663 175.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 5.1 t0 -104.44 139.81 38.84 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.811 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.491 HG13 ' O ' ' A' ' 47' ' ' ILE . 2.5 tp -71.81 -28.04 29.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.964 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.422 ' HG1' ' CG ' ' A' ' 46' ' ' ASP . 18.1 p -84.45 -12.74 53.79 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.939 -177.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.536 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 30.8 t -76.0 81.7 2.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.163 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.621 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 34.9 t 175.33 -173.43 0.08 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.912 0.885 . . . . 0.0 109.014 175.099 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.652 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -88.94 -146.71 13.45 Favored Glycine 0 C--O 1.217 -0.963 0 CA-C-O 121.847 0.693 . . . . 0.0 114.724 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.713 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.4 mmt180 -84.45 -45.22 12.91 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 123.493 0.717 . . . . 0.0 111.516 171.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.586 HD21 HD22 ' A' ' 29' ' ' LEU . 5.1 tt -49.08 -48.98 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.626 -170.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.652 ' HE1' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -65.77 -37.43 86.3 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -170.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.517 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 58.3 mmtt -45.13 -39.44 6.04 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.203 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.448 ' HB3' ' CD2' ' A' ' 144' ' ' LEU . 11.2 tp10 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.33 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -58.18 -37.31 74.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.208 172.199 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.415 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 50.1 mtt -56.0 -32.54 64.05 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.841 0.829 . . . . 0.0 110.267 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 52.8 mttt -75.16 -9.23 58.35 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.852 -176.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.686 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.9 m-30 -86.34 -17.1 35.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.09 0.948 . . . . 0.0 109.156 172.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.638 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 9.5 t70 -69.34 -38.1 77.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.683 ' HA ' HD13 ' A' ' 65' ' ' ILE . 25.5 t70 -78.86 -39.74 34.44 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.127 -2.306 . . . . 0.0 110.377 -174.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -62.45 -33.41 59.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.719 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.05 61.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.315 -1.312 . . . . 0.0 111.105 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.683 HD13 ' HA ' ' A' ' 62' ' ' ASP . 52.7 mt -58.08 -35.57 53.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.704 0.764 . . . . 0.0 109.966 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -69.76 -37.56 76.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.473 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' CD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -89.61 -72.51 0.55 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.764 -172.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -67.58 -41.25 84.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.441 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.567 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 109.76 142.33 9.48 Favored Glycine 0 N--CA 1.427 -1.959 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.889 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.0 tp -56.34 -44.82 80.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 O-C-N 124.4 0.706 . . . . 0.0 109.777 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 12.4 t70 -56.68 -52.74 63.77 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.344 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.778 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.44 -42.9 99.8 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.425 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.77 HG12 HD12 ' A' ' 104' ' ' ILE . 36.5 mt -60.47 -46.31 95.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.663 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -53.08 -48.71 67.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.827 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 20.5 mt-10 -70.92 -34.69 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.805 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.773 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.2 mp -70.46 -52.8 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.779 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.643 HG21 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.32 -51.14 51.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.726 0.774 . . . . 0.0 111.691 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -56.62 -40.6 75.64 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.078 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.67 73.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.773 ' HE1' HG23 ' A' ' 76' ' ' ILE . 10.2 mmt -48.54 -31.87 7.15 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 175.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.557 ' HB3' HG22 ' A' ' 117' ' ' ILE . 22.1 m -76.81 -9.52 58.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.882 -171.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.47 -1.35 28.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.029 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.76 86.22 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.779 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.35 127.47 27.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.4 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 8.5 p-80 -131.17 179.86 5.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.366 0.603 . . . . 0.0 112.062 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.479 ' HE1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -146.52 71.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.261 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.57 HD13 ' HE3' ' A' ' 80' ' ' MET . 43.7 mm -94.87 131.61 41.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.872 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -93.01 178.78 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -105.56 152.04 23.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.811 0.339 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.8 p -77.1 100.74 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.264 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -55.26 -60.81 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.507 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 9.2 m -84.06 112.09 20.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.891 175.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -79.65 50.84 1.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.947 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -83.72 154.2 23.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.619 -177.239 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.511 ' HA ' HD13 ' A' ' 98' ' ' LEU . 43.6 tt0 -50.8 -39.07 51.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 111.244 174.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 38.4 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.662 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -72.7 -36.89 67.95 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.511 HD13 ' HA ' ' A' ' 95' ' ' GLN . 82.2 mt -61.22 -51.89 67.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.422 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.9 m-30 -62.56 -38.35 89.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.154 0.502 . . . . 0.0 110.706 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.09 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -65.84 -33.11 75.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.435 HD11 ' N ' ' A' ' 102' ' ' ILE . 2.1 mp -71.25 -53.91 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.397 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.638 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -64.81 -39.87 96.92 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.911 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.77 HD12 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.11 -37.47 68.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.56 -30.51 64.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.206 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.534 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.71 -38.57 73.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.286 0.234 . . . . 0.0 110.54 -175.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.499 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.06 -30.67 70.47 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.552 0.692 . . . . 0.0 110.333 -179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.643 ' HA ' HG21 ' A' ' 77' ' ' VAL . 38.4 mt -77.38 -51.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.494 HG22 ' HA ' ' A' ' 106' ' ' ALA . 9.8 t -60.98 -38.82 87.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.811 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 14.5 pt-20 -70.95 -39.41 72.61 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.151 -0.343 . . . . 0.0 111.183 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -58.9 -28.01 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.22 0.533 . . . . 0.0 110.673 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.525 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 43.9 m0 -77.26 -20.95 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.435 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -63.67 -40.87 99.04 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 114.213 0.445 . . . . 0.0 114.213 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.572 ' CE1' HG22 ' A' ' 41' ' ' ILE . 17.1 m-85 -55.56 -57.07 13.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.306 0.553 . . . . 0.0 112.106 -169.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.484 ' HG3' HG12 ' A' ' 117' ' ' ILE . 60.0 pttt -111.45 18.56 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.68 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 59.8 59.55 2.46 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.65 0.738 . . . . 0.0 110.196 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 81' ' ' SER . 16.4 mt -76.7 150.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.924 -172.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.413 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 33.8 t 168.85 -66.93 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 175.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 45.01 40.29 4.41 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 124.372 1.045 . . . . 0.0 110.951 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p -95.99 114.37 26.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.254 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -65.78 -35.98 82.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.86 103.8 10.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . 0.587 ' HB3' ' HG ' ' A' ' 125' ' ' LEU . 1.7 mp0 -69.32 107.76 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.542 -173.31 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -86.88 67.24 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.187 0.518 . . . . 0.0 109.709 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.587 ' HG ' ' HB3' ' A' ' 123' ' ' GLN . 2.2 pp -141.96 -176.16 4.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.974 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 145.29 -70.1 0.38 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.707 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.91 123.33 44.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.435 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 tp -98.15 -45.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.925 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.6 p -61.06 -26.56 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.946 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.49 -1.55 8.88 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -12.16 59.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.922 0.868 . . . . 0.0 109.014 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.807 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? -143.07 -169.47 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.122 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.626 ' O ' HD11 ' A' ' 137' ' ' ILE . 44.4 p -139.71 155.4 47.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.585 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.814 ' HA ' HD13 ' A' ' 137' ' ' ILE . 4.6 t70 -48.3 -32.66 7.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.443 0.639 . . . . 0.0 110.693 166.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.48 -33.26 75.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.341 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.807 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 9.4 t-20 -79.14 -27.88 42.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.06 -174.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.814 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -57.1 -38.66 61.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.703 177.69 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.542 ' O ' HD12 ' A' ' 142' ' ' LEU . 25.2 m-80 -65.38 -42.74 92.35 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.465 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.499 HD12 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.24 -42.09 93.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.661 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.18 -52.75 61.12 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.059 -176.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 27.9 mm -51.1 -43.46 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.934 175.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.18 -48.79 66.9 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.623 -175.657 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.422 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 57.1 t80 -57.66 -47.49 82.13 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.018 0.914 . . . . 0.0 110.351 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.661 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 57.7 mt -65.65 -41.71 92.23 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.639 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.432 ' HG3' HG12 ' A' ' 20' ' ' ILE . 12.9 mt-10 -53.7 -24.82 15.84 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.197 0.935 . . . . 0.0 112.639 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.626 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 18.8 mmmt -48.91 -40.74 31.1 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.353 170.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.626 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -114.71 -27.95 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.343 1.068 . . . . 0.0 109.762 178.785 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.654 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -84.42 176.24 8.8 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.228 -1.805 . . . . 0.0 110.015 178.055 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.6 ' HB2' HG21 ' A' ' 20' ' ' ILE . 52.9 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 119.005 -0.521 . . . . 0.0 109.939 -168.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mtm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.67 167.37 0.22 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.858 0.724 . . . . 0.0 111.586 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 m 58.97 53.6 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.79 0.805 . . . . 0.0 110.535 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -95.69 -26.11 15.84 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.8 98.45 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.616 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.418 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 2.0 p30 -116.14 -100.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -173.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.69 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 3.1 p90 -118.93 78.69 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.444 0.64 . . . . 0.0 111.705 -174.684 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' C ' ' H ' ' A' ' 10' ' ' ALA . 9.8 mt-10 -87.35 -48.03 8.32 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.926 0.87 . . . . 0.0 109.194 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -77.48 27.48 0.16 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 114.169 -1.378 . . . . 0.0 110.181 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.488 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . -66.92 78.16 0.12 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 122.844 1.307 . . . . 0.0 110.669 168.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -71.73 -41.79 70.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 112.075 -2.33 . . . . 0.0 112.371 -178.384 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.72 145.96 8.62 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.695 0.759 . . . . 0.0 112.642 176.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -107.76 -45.97 3.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.389 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.634 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -82.86 -3.82 57.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.965 -177.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.658 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.9 p -41.87 -49.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.055 173.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.619 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 37.3 t70 -114.84 19.82 15.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.867 0.867 . . . . 0.0 110.588 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.634 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.9 t70 -53.34 -35.35 60.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.293 -173.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.667 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER 73.09 -28.95 0.2 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.754 177.73 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.627 ' C ' HD13 ' A' ' 148' ' ' LEU . 54.5 pttt -113.69 171.53 7.52 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.45 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.651 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.6 tp -80.99 155.93 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.6 -168.15 1.73 Allowed 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 118.384 0.538 . . . . 0.0 110.097 -170.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -67.05 157.12 34.3 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.93 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 98.6 mtt180 -57.24 -37.72 72.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.09 0.947 . . . . 0.0 109.46 170.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.53 -2.36 31.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.194 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.551 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.5 t -103.31 -10.26 18.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.828 -173.158 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.479 HG21 HD21 ' A' ' 29' ' ' LEU . 22.0 mm -88.05 -7.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -70.78 -55.62 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 112.845 -1.979 . . . . 0.0 109.967 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.81 -36.27 70.21 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.084 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.833 HD23 HD22 ' A' ' 53' ' ' LEU . 20.1 tp -50.7 -52.63 38.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 112.501 -2.136 . . . . 0.0 113.757 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.695 HG13 ' SD ' ' A' ' 132' ' ' MET . 2.5 mm -61.37 -28.76 44.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.307 0.575 . . . . 0.0 110.458 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.41 -44.14 46.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.259 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -58.41 -50.58 73.17 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 176.602 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -61.73 -58.0 9.72 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.946 0.403 . . . . 0.0 111.203 -169.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.663 HG23 HG21 ' A' ' 109' ' ' THR . 43.3 mm -48.2 -42.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.695 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -69.31 -35.67 76.22 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.117 0.484 . . . . 0.0 110.751 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.637 ' O ' HG22 ' A' ' 40' ' ' VAL . 64.9 t90 -67.22 -39.94 86.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.506 HH21 ' CD ' ' A' ' 110' ' ' GLU . 38.8 mmm-85 -54.55 -27.41 38.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.605 0.566 . . . . 0.0 110.333 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.47 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.1 t-20 -85.73 -44.4 12.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.703 ' HB3' ' HZ2' ' A' ' 45' ' ' LYS . 5.6 m-70 -54.46 -35.1 62.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.244 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.752 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 18.8 t -60.08 -30.95 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 121.754 0.787 . . . . 0.0 110.522 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 110' ' ' GLU . 27.1 mm -84.39 -62.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.31 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.4 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -47.98 -50.33 10.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.749 -178.194 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.549 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -90.67 -8.37 50.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.704 -175.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 54.78 52.27 12.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.19 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.752 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 96.2 mttt -76.22 -145.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.883 177.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.48 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 10.7 m-20 -134.85 134.47 40.81 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.147 0.498 . . . . 0.0 110.602 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.457 HD11 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tp -78.64 -31.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.681 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.404 HG23 HG21 ' A' ' 47' ' ' ILE . 43.2 p -75.79 -17.18 59.96 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.587 -178.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.48 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -91.19 82.11 5.52 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 113.091 -1.868 . . . . 0.0 110.836 -175.429 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -165.94 -162.07 0.53 Allowed 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.342 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.619 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -99.88 -173.46 30.47 Favored Glycine 0 N--CA 1.429 -1.831 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.769 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.667 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 57.1 mtp180 -71.46 -42.55 68.02 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.738 0.78 . . . . 0.0 111.093 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.833 HD22 HD23 ' A' ' 29' ' ' LEU . 5.1 tt -50.88 -43.07 59.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 113.608 -1.633 . . . . 0.0 110.409 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.657 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.8 m-30 -73.59 -40.47 63.84 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.991 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.491 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 24.5 mmtp -50.65 -33.95 24.43 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.868 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG2' HD22 ' A' ' 144' ' ' LEU . 8.7 tp10 -72.04 -40.7 68.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.498 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.51 -37.03 69.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 172.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.44 ' SD ' ' HA ' ' A' ' 55' ' ' LYS . 50.8 mtt -57.41 -33.05 67.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.308 0.575 . . . . 0.0 110.292 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.435 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 59.5 mttt -70.27 -17.48 63.11 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.908 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.605 ' O ' HG11 ' A' ' 63' ' ' VAL . 8.0 m-30 -77.01 -15.57 59.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.728 0.775 . . . . 0.0 109.764 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.3 t70 -69.47 -39.53 77.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.787 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.5 t70 -78.9 -39.91 33.64 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.533 -2.121 . . . . 0.0 110.644 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.605 HG11 ' O ' ' A' ' 60' ' ' PHE . 3.6 p -60.4 -35.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.438 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.13 63.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.929 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.787 HD12 ' HA ' ' A' ' 62' ' ' ASP . 69.6 mt -56.62 -36.33 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.172 0.511 . . . . 0.0 111.041 172.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.438 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.3 ttt-85 -72.18 -48.11 45.7 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.424 0.63 . . . . 0.0 110.427 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.665 ' HE2' ' HG ' ' A' ' 97' ' ' SER . 0.9 OUTLIER -68.44 -72.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.766 -174.411 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.63 -39.53 57.67 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.099 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.582 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 108.47 144.07 10.8 Favored Glycine 0 N--CA 1.428 -1.853 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.059 174.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -56.47 -43.45 77.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 O-C-N 124.295 0.644 . . . . 0.0 109.568 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.514 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.9 t70 -56.54 -53.62 55.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.371 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.21 -44.1 92.96 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.409 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.758 HG12 HD11 ' A' ' 104' ' ' ILE . 37.0 mt -58.57 -46.46 90.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.214 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 23.3 mt-10 -72.67 -39.03 67.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.284 0.564 . . . . 0.0 110.543 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.758 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.1 mp -66.08 -52.58 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.873 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.861 HG21 ' HA ' ' A' ' 108' ' ' ILE . 7.6 p -51.63 -50.33 31.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 122.088 0.947 . . . . 0.0 111.117 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -57.01 -41.95 79.45 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.486 177.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -59.65 -51.97 67.53 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.44 178.057 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.758 ' HE1' HG23 ' A' ' 76' ' ' ILE . 8.4 mmt -48.7 -28.75 3.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 111.063 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.501 ' HB3' ' CG2' ' A' ' 117' ' ' ILE . 30.7 m -81.22 -16.9 51.37 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -173.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.58 -18.5 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.9 17.86 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.673 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.429 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 22.8 t70 -140.14 116.85 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -136.9 -173.92 3.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.304 0.573 . . . . 0.0 111.851 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.439 ' HE1' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -150.28 41.15 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.762 -178.71 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.625 HD11 HG12 ' A' ' 76' ' ' ILE . 44.4 mm -92.16 117.98 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.255 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -171.9 147.01 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.19 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 t80 72.04 124.75 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.086 0.866 . . . . 0.0 112.556 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -96.44 135.62 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.028 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.439 ' HB3' ' OH ' ' A' ' 67' ' ' TYR . 20.9 tptp -52.48 -77.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -173.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 30.0 m -96.41 -16.39 7.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.0 t60 51.99 64.86 1.68 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 38.2 t70 -122.11 -179.04 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.989 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.53 ' HA ' HD11 ' A' ' 98' ' ' LEU . 49.3 tt0 -53.36 -41.35 65.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 110.751 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.79 -45.23 70.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.703 176.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.665 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 1.4 m -70.04 -37.05 75.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.53 HD11 ' HA ' ' A' ' 95' ' ' GLN . 85.7 mt -56.9 -54.59 44.79 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.615 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.465 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.3 m-30 -63.11 -40.96 99.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.401 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.92 -33.76 69.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.912 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.498 HG23 ' CD1' ' A' ' 131' ' ' LEU . 27.0 m -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.938 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.32 -51.73 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.91 -40.72 97.43 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.899 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.758 HD11 HG12 ' A' ' 73' ' ' ILE . 5.5 tp -57.44 -44.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.436 ' HA ' HD11 ' A' ' 108' ' ' ILE . 95.7 m -72.02 -25.4 61.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.56 74.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.088 0.47 . . . . 0.0 110.281 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.524 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -71.6 -29.48 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.918 -177.612 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.861 ' HA ' HG21 ' A' ' 77' ' ' VAL . 43.7 mt -69.51 -50.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.205 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.663 HG21 HG23 ' A' ' 34' ' ' ILE . 15.4 t -66.39 -31.49 72.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.343 -174.071 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.524 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 19.2 pt-20 -72.31 -45.44 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -55.59 -30.85 61.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 111.301 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.677 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.7 m0 -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.36 -49.73 66.85 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.302 0.481 . . . . 0.0 114.302 -172.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.404 ' CE2' HG22 ' A' ' 41' ' ' ILE . 30.3 m-85 -59.98 -62.96 1.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.343 0.571 . . . . 0.0 112.513 -168.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.436 ' CG ' HG12 ' A' ' 117' ' ' ILE . 59.3 pttt -104.49 10.21 35.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.913 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 112' ' ' TRP . 6.7 mtpm? 59.38 75.64 0.39 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.57 0.7 . . . . 0.0 109.39 -176.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.677 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.4 mt -89.23 158.61 2.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.429 -170.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.484 ' HB2' ' HA ' ' A' ' 81' ' ' SER . 34.5 t 81.45 -58.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.164 0.915 . . . . 0.0 110.262 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 54.49 37.18 27.34 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -68.8 117.31 10.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.891 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.36 -18.27 42.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 -173.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -84.86 58.07 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.329 0.585 . . . . 0.0 110.921 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -99.88 62.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.8 m -129.54 51.18 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.477 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.77 -29.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.38 -83.49 0.88 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 67.96 -176.41 0.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.929 0.492 . . . . 0.0 109.798 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.409 HG23 HG13 ' A' ' 34' ' ' ILE . 47.4 mm 71.11 -68.96 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 122.769 0.428 . . . . 0.0 110.7 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.1 m -64.46 -26.43 68.44 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.088 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -81.84 -5.28 58.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.814 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.498 ' CD1' HG23 ' A' ' 101' ' ' THR . 0.0 OUTLIER -90.23 -8.93 49.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.628 0.727 . . . . 0.0 110.15 -176.081 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.695 ' SD ' HG13 ' A' ' 30' ' ' ILE . 22.0 ptm -129.55 178.5 6.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.3 p -106.96 -174.25 2.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.809 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -84.68 -28.2 26.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.47 -23.7 60.1 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 111.833 -2.44 . . . . 0.0 110.267 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.554 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 16.6 t-20 -75.41 -26.7 58.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.809 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -58.8 -39.78 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 CA-C-N 113.169 -1.832 . . . . 0.0 109.592 174.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.537 ' N ' HD21 ' A' ' 138' ' ' ASN . 0.9 OUTLIER -70.49 -41.09 73.15 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.131 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.59 -39.83 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.734 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.43 -51.79 61.35 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.702 -178.037 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.484 ' HA ' HD13 ' A' ' 20' ' ' ILE . 21.9 mm -50.6 -44.33 25.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 121.366 0.603 . . . . 0.0 109.81 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.535 HD11 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -68.26 -48.55 64.75 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.884 -174.293 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.465 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 61.0 t80 -57.94 -46.72 84.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.084 0.945 . . . . 0.0 110.446 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.734 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 41.3 mt -65.44 -44.23 87.97 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.84 -1.527 . . . . 0.0 110.281 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.544 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.6 mt-10 -52.96 -25.06 10.78 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.151 0.907 . . . . 0.0 112.688 -176.218 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.606 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 31.3 mmtt -49.02 -40.32 30.59 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.365 170.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.606 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -116.55 -15.54 10.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.116 0.96 . . . . 0.0 110.109 177.812 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.657 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.99 178.01 5.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.471 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.544 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.0 t-20 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 123.361 0.664 . . . . 0.0 110.42 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtm . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.39 118.57 1.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.812 0.339 . . . . 0.0 111.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.599 HG23 ' HB2' ' A' ' 6' ' ' ASP . 3.7 m -86.9 72.13 10.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -77.4 140.63 39.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.629 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.5 mt 70.4 23.06 5.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.234 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.599 ' HB2' HG23 ' A' ' 3' ' ' THR . 23.1 t70 -78.13 118.33 20.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.87 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.516 ' H ' ' HD2' ' A' ' 43' ' ' PHE . 55.6 m-85 -143.52 38.82 1.39 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.636 ' HG2' ' HD2' ' A' ' 45' ' ' LYS . 41.4 mt-10 -31.86 -68.12 0.1 Allowed 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 124.76 1.288 . . . . 0.0 114.085 -168.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 71.1 -14.5 0.45 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 124.628 1.205 . . . . 0.0 110.292 -168.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . 20.59 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 125.089 1.356 . . . . 0.0 113.419 -172.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -47.6 61.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.137 -2.301 . . . . 0.0 110.897 175.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.851 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.44 138.52 33.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 121.48 0.657 . . . . 0.0 112.558 174.173 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -102.35 -52.44 3.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.512 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.708 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -76.49 -0.99 25.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.18 -175.308 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.647 HG21 ' SG ' ' A' ' 50' ' ' CYS . 2.6 p -43.61 -62.81 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.938 167.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -100.46 20.8 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.539 0.685 . . . . 0.0 110.199 -173.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.708 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.1 t0 -56.76 -36.76 70.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.858 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.599 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.4 t70 74.6 -26.04 0.2 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.296 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.527 ' C ' HD11 ' A' ' 148' ' ' LEU . 63.0 pttt -123.57 171.75 9.29 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.849 -174.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.654 HG22 ' HA ' ' A' ' 149' ' ' ASN . 7.1 tp -78.96 139.51 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.162 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.456 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -100.9 -169.66 1.74 Allowed 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 121.399 0.619 . . . . 0.0 111.505 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -72.88 164.89 25.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.798 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.48 ' O ' HG23 ' A' ' 137' ' ' ILE . 25.9 mtm180 -55.37 -42.3 73.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.08 0.943 . . . . 0.0 109.342 168.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.88 -7.95 44.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.785 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.573 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 23.1 t -101.54 -16.38 16.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.993 -171.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.694 ' HB ' HG13 ' A' ' 137' ' ' ILE . 22.1 mm -85.76 -8.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HD13 ' CD1' ' A' ' 137' ' ' ILE . 39.8 mm -68.32 -55.94 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 112.969 -1.923 . . . . 0.0 109.348 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 m-20 -72.66 -28.76 62.92 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 113.859 -1.519 . . . . 0.0 108.972 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.637 HD21 HD22 ' A' ' 53' ' ' LEU . 23.5 tp -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 112.735 -2.029 . . . . 0.0 112.098 -170.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.635 HG13 ' HG2' ' A' ' 132' ' ' MET . 2.7 mm -61.46 -31.38 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.683 -177.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.537 ' HA ' HG21 ' A' ' 128' ' ' ILE . 21.6 t70 -73.36 -42.22 62.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.851 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.1 mm-40 -58.38 -51.86 68.05 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.383 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.497 ' HH ' ' HD2' ' A' ' 37' ' ' ARG . 69.6 t80 -64.72 -56.73 11.86 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.322 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG22 HD11 ' A' ' 128' ' ' ILE . 38.6 mm -51.29 -40.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.786 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.479 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 59.9 m -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.914 0.388 . . . . 0.0 110.748 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.589 ' O ' HG23 ' A' ' 40' ' ' VAL . 91.0 t90 -67.09 -37.45 83.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 0.0 110.55 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.61 ' HD3' ' HB2' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -57.77 -23.07 50.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.288 0.566 . . . . 0.0 110.055 173.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.479 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.0 t-20 -86.61 -46.36 10.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.558 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.636 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 6.2 m-70 -52.12 -40.0 60.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.932 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 6.5 t -59.49 -24.9 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.569 0.7 . . . . 0.0 110.987 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 110' ' ' GLU . 22.1 mm -92.25 -66.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.85 -175.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -49.35 68.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.196 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.516 ' HD2' ' H ' ' A' ' 7' ' ' TYR . 1.1 m-85 -88.03 -4.19 58.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.196 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 52.14 43.47 30.51 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.387 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.932 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 14.4 mtpp -68.13 -166.56 0.07 Allowed 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.707 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.683 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 6.6 t0 -105.26 140.13 38.87 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.496 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -72.61 -26.72 24.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.441 173.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.433 HG22 HG23 ' A' ' 47' ' ' ILE . 24.1 p -88.36 -10.48 49.23 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.941 0.877 . . . . 0.0 109.187 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.683 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.0 t -72.88 82.25 1.19 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.186 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.689 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 36.6 t 172.47 -171.82 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.836 0.854 . . . . 0.0 109.324 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.649 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -90.56 -143.52 11.0 Favored Glycine 0 N--CA 1.468 0.833 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -171.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.599 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 14.1 mtt180 -83.57 -50.29 8.38 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.341 1.067 . . . . 0.0 112.451 170.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.637 HD22 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -48.67 -44.76 38.07 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.935 -167.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.689 ' CE2' ' HB3' ' A' ' 50' ' ' CYS . 0.1 OUTLIER -65.89 -37.29 85.71 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -172.124 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 57.7 mmtt -45.42 -37.74 5.39 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.39 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.501 ' HG2' HD23 ' A' ' 144' ' ' LEU . 4.1 tp10 -74.91 -36.85 62.18 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 121.087 0.47 . . . . 0.0 110.425 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -57.33 -37.01 71.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.847 172.478 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtt -55.21 -35.03 64.44 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.514 0.674 . . . . 0.0 110.137 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -71.05 -12.89 61.77 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.619 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.602 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.7 m-30 -80.27 -17.01 53.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.057 0.932 . . . . 0.0 109.214 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.607 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.4 t70 -69.61 -42.3 74.58 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.484 172.033 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.773 ' HA ' HD11 ' A' ' 65' ' ' ILE . 15.4 t70 -75.82 -41.4 52.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 112.301 -2.227 . . . . 0.0 110.521 -173.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.602 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -61.19 -34.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.808 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.16 -40.51 64.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.014 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.773 HD11 ' HA ' ' A' ' 62' ' ' ASP . 51.8 mt -58.41 -34.96 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 110.327 172.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.25 -46.12 61.72 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.33 0.586 . . . . 0.0 110.609 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.524 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -76.43 -71.38 0.39 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.158 -172.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.88 -36.78 70.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.29 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.591 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.91 140.17 11.24 Favored Glycine 0 N--CA 1.431 -1.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.062 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.1 tp -56.21 -43.88 77.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.671 -0.764 . . . . 0.0 109.892 -176.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -59.06 -50.83 72.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.332 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.751 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -61.21 -46.12 91.74 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 177.851 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.74 HG12 HD12 ' A' ' 104' ' ' ILE . 46.0 mt -57.66 -47.38 85.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.603 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.47 -43.34 68.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.015 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -70.06 -37.02 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.29 0.567 . . . . 0.0 110.756 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.76 HG21 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.99 -52.99 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.769 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.494 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.1 p -52.73 -49.86 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.809 0.814 . . . . 0.0 111.471 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' O ' ' HB3' ' A' ' 81' ' ' SER . 9.7 mt-10 -61.41 -31.13 71.05 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.81 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.4 72.52 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.981 0.42 . . . . 0.0 110.135 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.76 ' HE3' HG21 ' A' ' 76' ' ' ILE . 8.2 mmt -53.69 -27.29 26.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.606 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.495 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 46.4 t -66.66 -23.66 66.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.287 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -97.56 -1.18 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.737 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.983 ' HA3' ' HB2' ' A' ' 120' ' ' SER . . . 75.46 28.28 61.89 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.568 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.68 123.97 13.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.457 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 9.1 p-80 -117.59 172.15 7.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.205 0.526 . . . . 0.0 111.393 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.423 ' H ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -143.65 45.61 1.49 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.587 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.531 HG22 ' HD2' ' A' ' 89' ' ' PHE . 43.9 mm -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.081 -170.786 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -115.98 74.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.531 ' HD2' HG22 ' A' ' 87' ' ' ILE . 98.3 m-85 -125.37 -166.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.42 -176.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.3 p -65.26 -65.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.785 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 67.81 132.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.751 0.657 . . . . 0.0 109.852 -173.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.727 ' HA ' HD21 ' A' ' 98' ' ' LEU . 26.7 m 42.35 -141.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 123.667 0.604 . . . . 0.0 111.774 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 74.76 -85.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.656 0.382 . . . . 0.0 111.349 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.766 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 14.2 t70 -92.93 171.56 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.539 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.44 ' HA ' HD11 ' A' ' 98' ' ' LEU . 61.5 tt0 -72.26 -46.96 53.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.556 0.693 . . . . 0.0 109.561 -175.355 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.524 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.0 tt0 -61.65 -32.22 72.38 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.134 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.5 t -79.99 -35.42 37.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.628 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.766 ' HG ' ' O ' ' A' ' 94' ' ' ASP . 83.9 mt -53.98 -58.15 8.39 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.454 ' HB3' HG13 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.08 -41.34 98.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.408 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.51 -32.88 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.456 HG21 ' HG ' ' A' ' 131' ' ' LEU . 34.0 m -65.32 -32.65 74.42 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.722 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' N ' HD13 ' A' ' 102' ' ' ILE . 2.0 mp -69.65 -55.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.668 179.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.599 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.57 -38.31 94.56 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.814 -0.707 . . . . 0.0 114.062 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.74 HD12 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -60.47 -35.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.21 -31.1 63.97 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.352 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.61 ' HB2' ' HD3' ' A' ' 37' ' ' ARG . . . -71.21 -33.76 70.2 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.433 ' HA ' ' HD2' ' A' ' 107' ' ' LYS . 13.2 tptt -62.48 -31.03 71.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.751 0.786 . . . . 0.0 110.531 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.511 HG12 ' HG3' ' A' ' 80' ' ' MET . 31.0 mt -77.53 -48.51 24.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.174 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.478 HG21 ' HA ' ' A' ' 106' ' ' ALA . 11.2 t -60.76 -38.1 84.06 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.103 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 41' ' ' ILE . 11.3 pt-20 -72.03 -45.23 61.63 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.123 -0.361 . . . . 0.0 111.663 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.463 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 22.8 t-80 -58.05 -27.38 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 111.413 -173.675 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.436 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 44.0 m0 -76.94 -21.19 55.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.389 -174.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.51 61.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 114.971 0.748 . . . . 0.0 114.971 -167.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.525 ' CE1' HG21 ' A' ' 41' ' ' ILE . 16.8 m-85 -53.85 -53.16 56.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -110.87 10.35 22.42 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.969 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 57.69 73.57 0.46 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.671 0.748 . . . . 0.0 111.037 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.535 ' O ' ' HB2' ' A' ' 118' ' ' SER . 16.8 mt -88.74 152.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.053 -177.246 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.535 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 25.8 t 164.33 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.409 1.068 . . . . 0.0 109.611 172.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 67.85 -63.42 0.31 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.178 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.983 ' HB2' ' HA3' ' A' ' 83' ' ' GLY . 13.6 m -90.64 82.85 5.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.625 0.25 . . . . 0.0 110.598 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 68.18 97.04 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.94 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . 0.434 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 24.4 m-85 -62.65 -27.55 69.3 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.265 176.16 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -153.74 118.43 4.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.394 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.4 t -108.69 -48.29 3.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -128.21 158.63 37.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.47 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.57 68.25 3.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 -96.28 35.69 1.43 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.203 -0.498 . . . . 0.0 112.035 -171.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.537 HG21 ' HA ' ' A' ' 31' ' ' ASP . 46.3 mm -96.02 -73.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 6.5 m -67.33 -24.93 65.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.304 0.573 . . . . 0.0 110.845 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -69.3 -17.21 63.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.456 ' HG ' HG21 ' A' ' 101' ' ' THR . 0.0 OUTLIER -77.07 -14.01 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.068 -175.034 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.757 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? -136.49 -179.7 5.84 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.525 ' O ' HD11 ' A' ' 137' ' ' ILE . 30.3 p -129.76 152.92 48.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.542 -169.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.864 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.8 t70 -49.96 -27.15 4.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.991 167.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -71.66 -31.84 67.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.458 177.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.757 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 13.5 t-20 -77.81 -28.96 50.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -175.149 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.864 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.1 mp -54.84 -40.12 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.55 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.483 ' O ' HD12 ' A' ' 142' ' ' LEU . 24.7 m-80 -65.93 -41.94 90.71 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.565 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.519 HD11 ' HA ' ' A' ' 136' ' ' ASN . 2.9 mp -63.38 -42.62 96.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.46 -51.55 62.48 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.057 -176.537 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.2 mm -50.68 -45.71 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.483 HD12 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.27 -50.09 61.75 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.161 -175.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.456 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 61.8 t80 -57.19 -47.24 81.75 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 121.974 0.892 . . . . 0.0 110.243 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.672 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 59.1 mt -65.98 -44.29 85.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.505 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.58 ' HG3' HG12 ' A' ' 20' ' ' ILE . 21.5 mt-10 -53.17 -24.27 10.38 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.005 0.815 . . . . 0.0 112.84 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.401 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 28.1 mmtp -49.34 -38.63 28.68 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.462 170.083 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.401 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.26 -12.97 7.78 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.057 0.932 . . . . 0.0 110.177 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 149' ' ' ASN . 0.1 OUTLIER -99.72 177.03 5.26 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.349 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.654 ' HA ' HG22 ' A' ' 20' ' ' ILE . 10.8 t-20 . . . . . 0 C--O 1.25 1.129 0 O-C-N 125.416 1.697 . . . . 0.0 109.245 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.59 0.233 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.2 55.78 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -64.27 116.23 5.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.264 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -101.22 132.23 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 mp 62.9 -168.89 0.19 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.555 0.534 . . . . 0.0 111.439 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.841 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.2 p-10 32.9 74.1 0.06 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.311 1.044 . . . . 0.0 113.651 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -143.89 -77.51 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.23 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -144.78 -68.85 0.3 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.401 ' O ' HG13 ' A' ' 11' ' ' VAL . 6.3 m-20 52.06 40.82 29.27 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.688 -179.225 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 79.6 0.08 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.754 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -73.08 -41.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.253 -179.546 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.644 ' CE1' ' HD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -51.0 150.56 2.99 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.84 0.829 . . . . 0.0 112.912 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -108.55 -52.34 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.487 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.657 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.24 -0.42 32.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.104 -177.605 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.637 HG23 ' HG ' ' A' ' 50' ' ' CYS . 2.7 p -47.16 -60.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.564 0.697 . . . . 0.0 109.649 168.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.443 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 12.6 t70 -102.29 19.12 19.35 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.134 -171.587 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.657 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 23.2 t70 -53.42 -35.67 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.156 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.658 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 16.1 t70 75.82 -20.13 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.908 174.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.521 ' C ' HD12 ' A' ' 148' ' ' LEU . 16.1 ptpt -131.13 172.84 11.65 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.14 0.495 . . . . 0.0 111.623 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.714 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.7 tp -75.32 134.03 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -99.31 -167.94 1.55 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 121.545 0.688 . . . . 0.0 112.078 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -70.15 161.9 29.34 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.187 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.508 ' O ' HG22 ' A' ' 137' ' ' ILE . 99.0 mtt180 -54.63 -41.61 70.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.948 0.88 . . . . 0.0 109.413 168.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.75 -6.38 46.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.458 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.603 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.3 t -103.82 -12.35 16.98 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.102 -171.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.524 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 21.3 mm -89.07 -6.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.447 HD13 HD12 ' A' ' 137' ' ' ILE . 43.9 mm -69.71 -56.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.098 -1.865 . . . . 0.0 109.637 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.94 -32.64 63.6 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 53' ' ' LEU . 23.6 tp -49.3 -49.52 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 112.765 -2.016 . . . . 0.0 113.432 -176.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 30' ' ' ILE . 2.3 mm -60.25 -30.5 46.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.17 0.509 . . . . 0.0 110.736 -177.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.81 -44.91 54.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.439 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.7 -50.78 72.61 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.629 ' HH ' ' HD3' ' A' ' 37' ' ' ARG . 75.6 t80 -63.02 -57.32 11.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.851 -175.728 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.584 HG23 HG23 ' A' ' 128' ' ' ILE . 36.0 mm -49.52 -47.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.238 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.423 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 63.5 m -65.12 -35.64 81.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.094 0.473 . . . . 0.0 110.816 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.645 ' O ' HG22 ' A' ' 40' ' ' VAL . 86.7 t90 -67.67 -38.65 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.769 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.629 ' HD3' ' HH ' ' A' ' 33' ' ' TYR . 35.3 mmm-85 -54.88 -30.17 57.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.404 0.621 . . . . 0.0 109.45 173.449 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 23.1 t-20 -82.47 -45.21 15.04 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.62 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.658 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.5 -42.3 61.59 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.081 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.905 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 12.2 t -56.52 -30.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.712 0.767 . . . . 0.0 110.15 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.514 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.3 mm -86.67 -66.95 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.486 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.465 HG11 ' O ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -49.7 -53.0 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.898 -178.392 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.841 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 2.8 m-85 -85.81 -5.0 59.31 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.14 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.52 45.0 20.22 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.56 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.905 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 54.9 mtpt -79.29 -158.92 0.17 Allowed 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.133 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' H ' ' HB3' ' A' ' 45' ' ' LYS . 18.2 m-20 -121.74 132.22 54.5 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.362 -177.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.523 HD13 ' CH2' ' A' ' 36' ' ' TRP . 2.6 tp -70.86 -27.55 30.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.286 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -80.64 -11.13 59.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.375 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 47.2 t -93.24 82.47 4.52 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.088 -174.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.637 ' HG ' HG23 ' A' ' 15' ' ' VAL . 14.2 t -177.94 -169.57 0.21 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.712 175.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.608 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -89.24 -150.98 23.6 Favored Glycine 0 C--O 1.213 -1.212 0 CA-C-O 121.737 0.632 . . . . 0.0 114.564 -170.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.658 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 43.7 mtt180 -85.09 -44.99 12.5 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.831 0.824 . . . . 0.0 112.05 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.726 HD23 HD23 ' A' ' 29' ' ' LEU . 5.4 tt -49.86 -46.35 51.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.491 -171.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.654 ' HE1' ' HE2' ' A' ' 55' ' ' LYS . 0.4 OUTLIER -67.47 -37.05 82.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.57 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.654 ' HE2' ' HE1' ' A' ' 54' ' ' TYR . 40.0 mmtt -46.54 -34.63 5.04 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.473 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.774 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.6 tp10 -73.96 -38.72 64.11 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.412 0.625 . . . . 0.0 110.459 -176.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 54' ' ' TYR . 1.2 mm? -56.98 -36.38 70.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.287 172.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.469 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 53.2 mtt -55.55 -33.0 63.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.522 0.677 . . . . 0.0 110.428 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.458 ' HZ2' ' CD ' ' A' ' 56' ' ' GLU . 58.5 mttt -72.5 -14.32 61.63 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.608 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.1 m-30 -81.78 -17.06 48.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.111 0.957 . . . . 0.0 109.041 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.581 ' O ' HG13 ' A' ' 65' ' ' ILE . 11.9 t70 -69.85 -42.18 73.88 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.182 -1.372 . . . . 0.0 107.617 172.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.746 ' HA ' HD13 ' A' ' 65' ' ' ILE . 21.2 t70 -75.67 -41.41 53.99 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 112.536 -2.12 . . . . 0.0 110.612 -174.024 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.608 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -60.28 -33.85 55.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.686 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.23 -42.73 62.25 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.975 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.746 HD13 ' HA ' ' A' ' 62' ' ' ASP . 52.1 mt -58.09 -35.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.491 0.663 . . . . 0.0 110.421 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -67.88 -43.85 78.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.764 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.642 ' OH ' HG22 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -88.11 -68.4 0.76 Allowed 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.206 -168.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -71.24 -34.4 70.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.55 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.611 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.26 138.03 10.11 Favored Glycine 0 N--CA 1.435 -1.431 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.379 175.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.622 ' HB ' HG22 ' A' ' 65' ' ' ILE . 10.2 tp -59.24 -42.94 88.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.749 -0.725 . . . . 0.0 110.477 -174.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.545 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 19.7 t70 -56.9 -52.11 66.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.015 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.546 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -64.36 -43.07 95.67 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.222 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.741 HG12 HD12 ' A' ' 104' ' ' ILE . 34.3 mt -57.0 -47.92 82.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.653 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.15 -45.66 72.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.99 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 45.5 mt-10 -70.06 -35.78 74.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.729 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.822 HG23 ' HE1' ' A' ' 80' ' ' MET . 1.2 mp -71.05 -53.17 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.689 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.678 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.65 -52.75 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.545 0.688 . . . . 0.0 111.328 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -61.35 -34.57 75.51 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.495 178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.82 76.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.707 0.289 . . . . 0.0 110.743 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.822 ' HE1' HG23 ' A' ' 76' ' ' ILE . 11.4 mmt -46.08 -34.14 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.018 173.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.6 ' HB3' HG21 ' A' ' 117' ' ' ILE . 15.8 m -73.27 -15.19 61.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.024 -171.19 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.5 -9.71 19.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.54 23.65 57.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.163 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.56 117.42 12.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -151.19 -165.61 2.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.672 0.272 . . . . 0.0 111.616 -174.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.451 ' HB2' ' H ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -119.04 -89.98 0.59 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.568 -177.381 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.486 HD12 ' HE3' ' A' ' 80' ' ' MET . 1.9 mp 70.29 107.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.717 0.77 . . . . 0.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -111.77 22.08 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.477 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 62.22 -164.45 0.25 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.747 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 92' ' ' VAL . 16.8 p -83.66 115.07 21.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.913 0.387 . . . . 0.0 110.697 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.38 -62.95 1.34 Allowed 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 171.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.642 HG22 ' OH ' ' A' ' 67' ' ' TYR . 18.6 m -90.03 143.28 11.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.256 169.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -110.76 44.52 1.26 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.463 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.2 t70 -113.09 165.88 11.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.282 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.524 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.9 tt0 -53.38 -43.58 67.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -169.417 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.98 -37.75 74.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.953 0.406 . . . . 0.0 111.246 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.2 t -80.89 -30.22 35.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.576 ' O ' HG23 ' A' ' 101' ' ' THR . 77.6 mt -60.26 -46.51 89.55 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.312 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' PHE . 10.2 m-30 -66.93 -40.62 87.64 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.94 0.4 . . . . 0.0 111.451 173.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.54 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.29 -36.07 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.411 -175.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.576 HG23 ' O ' ' A' ' 98' ' ' LEU . 7.3 t -71.32 -22.15 61.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.939 -175.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.34 -52.86 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.15 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.515 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.81 -37.75 93.69 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.458 -175.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.741 HD12 HG12 ' A' ' 73' ' ' ILE . 6.1 tp -59.43 -41.9 85.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.197 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.716 ' HA ' HD11 ' A' ' 108' ' ' ILE . 54.2 m -72.73 -24.89 61.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.394 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.42 77.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.561 0.22 . . . . 0.0 111.14 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.513 ' HD2' HG23 ' A' ' 73' ' ' ILE . 60.8 mttm -69.37 -30.08 68.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.423 0.63 . . . . 0.0 110.722 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 105' ' ' CYS . 60.7 mt -69.73 -50.13 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.281 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.547 HG23 HG21 ' A' ' 34' ' ' ILE . 8.8 t -63.61 -34.41 77.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.674 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.514 ' HB2' HG13 ' A' ' 41' ' ' ILE . 24.4 pt-20 -79.65 -39.01 32.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.41 -35.11 62.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.171 0.51 . . . . 0.0 110.734 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.444 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.3 m0 -70.46 -19.83 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' O ' HG11 ' A' ' 42' ' ' VAL . . . -50.28 -58.28 9.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -167.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -54.92 -48.64 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -165.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.555 ' CG ' HG12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -111.23 4.97 19.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.089 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.458 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 37.6 mtmm 56.78 69.49 0.74 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.723 0.773 . . . . 0.0 109.894 -172.547 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.6 HG21 ' HB3' ' A' ' 81' ' ' SER . 11.1 mt -73.18 159.0 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.82 -172.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 117' ' ' ILE . 8.5 t 88.1 -56.89 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 171.1 -41.67 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.458 ' HB3' ' HB3' ' A' ' 116' ' ' LYS . 24.2 t 33.75 54.59 0.53 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.347 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.63 123.26 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.543 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 69.39 -67.52 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.715 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -128.55 148.48 50.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 m -76.02 73.16 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' O ' HD13 ' A' ' 125' ' ' LEU . 2.5 pp -64.88 145.22 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.822 -175.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.83 -168.04 31.12 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 131' ' ' LEU . 50.7 m-20 -83.8 84.15 7.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.813 HG13 ' H ' ' A' ' 129' ' ' THR . 8.3 pt -100.63 -89.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.091 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.813 ' H ' HG13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -71.32 -24.88 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.03 0.443 . . . . 0.0 111.377 177.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.61 -8.38 58.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.277 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.575 ' HB2' ' HB3' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -90.63 -16.22 29.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.139 0.495 . . . . 0.0 111.009 -174.494 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.749 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.5 ppp? -129.95 169.13 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 137' ' ' ILE . 15.5 p -126.83 158.61 36.21 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.843 -167.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.685 ' HA ' HD12 ' A' ' 137' ' ' ILE . 7.3 t70 -48.42 -32.88 8.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.191 168.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.47 -27.15 63.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.572 0.701 . . . . 0.0 109.408 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.749 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 12.6 t-20 -79.56 -30.81 41.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.12 -177.582 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 133' ' ' THR . 0.8 OUTLIER -59.03 -37.93 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.134 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.486 ' O ' HD13 ' A' ' 142' ' ' LEU . 19.3 m-80 -64.27 -43.35 95.09 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.484 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.624 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.5 mt -63.27 -41.32 92.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.84 0.829 . . . . 0.0 109.137 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.788 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.02 -53.85 49.76 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.918 -177.837 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.51 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 20.0 mm -50.18 -43.87 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 176.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.486 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -66.92 -49.84 64.27 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.838 -175.451 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.89 -48.21 78.69 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.879 0.847 . . . . 0.0 110.359 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.788 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 27.7 mt -64.84 -43.14 94.04 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.078 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.656 ' HG3' HG12 ' A' ' 20' ' ' ILE . 32.5 mt-10 -53.63 -25.93 19.88 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.542 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.485 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 35.8 mttp -51.75 -38.99 57.7 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.805 172.758 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.485 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -118.13 -17.58 9.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.376 1.084 . . . . 0.0 109.602 -176.917 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.714 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.8 179.04 5.73 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.778 175.162 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 123.915 0.759 . . . . 0.0 110.189 -166.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.76 0.314 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.54 118.17 4.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.88 0.372 . . . . 0.0 110.87 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.67 99.17 12.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 175.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -73.79 143.57 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -173.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.7 75.46 8.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.7 150.03 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.052 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.717 ' HB3' ' HB3' ' A' ' 43' ' ' PHE . 66.6 m-85 -140.73 124.23 16.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.017 0.437 . . . . 0.0 112.152 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 1.042 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 38.6 mt-10 -125.62 -72.62 0.65 Allowed 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.962 169.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.495 ' O ' HG13 ' A' ' 11' ' ' VAL . 0.2 OUTLIER 56.87 40.31 28.99 Favored 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 124.292 0.995 . . . . 0.0 109.096 -172.1 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.641 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -70.61 65.51 0.31 Allowed 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 123.246 1.498 . . . . 0.0 112.237 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.495 HG13 ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -57.15 -44.61 83.67 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.226 0 CA-C-N 111.514 -2.585 . . . . 0.0 111.612 173.461 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.641 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.88 145.86 9.2 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.96 0.885 . . . . 0.0 113.036 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -101.7 -53.08 3.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.262 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.73 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -81.79 -2.29 50.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.388 -175.049 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.685 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.5 p -42.48 -48.69 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 172.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.501 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 31.1 t70 -115.54 19.51 15.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.833 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.73 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 21.9 t70 -53.59 -33.94 56.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.874 -173.047 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.631 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.0 t70 72.7 -27.43 0.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.236 177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' C ' HD12 ' A' ' 148' ' ' LEU . 19.6 pttp -115.74 172.51 7.08 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.524 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.691 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 8.2 tp -82.27 139.28 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.403 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.452 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 4.8 m -102.67 -169.14 1.62 Allowed 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 121.532 0.682 . . . . 0.0 111.751 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -69.39 161.34 29.6 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.555 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.7 mtp180 -53.96 -41.75 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.05 0.929 . . . . 0.0 109.342 167.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.26 -4.89 38.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.785 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.586 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.2 t -97.99 -21.84 16.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.598 HD13 HD13 ' A' ' 141' ' ' ILE . 28.0 mm -75.62 -11.74 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 122.603 1.192 . . . . 0.0 108.189 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.98 -55.9 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.021 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.4 -33.45 65.0 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.508 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.805 HD21 HD21 ' A' ' 53' ' ' LEU . 25.7 tp -50.99 -51.46 52.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.668 -2.06 . . . . 0.0 113.221 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.536 HG13 ' HG2' ' A' ' 132' ' ' MET . 7.1 mm -60.84 -34.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.287 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.25 -44.87 71.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.596 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.532 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.5 mm-40 -58.25 -51.82 68.17 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.621 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.536 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 69.6 t80 -61.5 -55.26 32.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.059 0.457 . . . . 0.0 110.454 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.17 -24.82 18.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.386 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.474 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 57.8 m -81.61 -38.54 25.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.053 -1.029 . . . . 0.0 110.896 170.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.554 ' HD1' ' CE1' ' A' ' 12' ' ' PHE . 71.3 t90 -66.13 -53.48 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.686 ' NH2' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.61 3.68 9.09 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.466 -176.354 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.686 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 22.5 t-20 -85.75 -47.23 9.95 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.771 165.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.509 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 9.8 m170 -55.15 -31.89 61.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.744 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 37' ' ' ARG . 14.5 t -60.34 -24.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.659 0.742 . . . . 0.0 110.078 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.538 HG21 ' CE1' ' A' ' 114' ' ' TYR . 23.2 mm -92.15 -64.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.998 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.79 -48.86 37.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.957 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.717 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 2.9 m-85 -90.38 -8.65 50.13 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.444 -176.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.526 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.0 t-20 49.7 53.08 13.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.318 -173.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.042 ' HE2' ' HA ' ' A' ' 8' ' ' GLU . 7.4 mtpm? -76.56 -150.12 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.346 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.554 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 9.2 m-20 -125.54 135.36 52.17 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.729 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.3 tp -71.47 -29.04 33.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 122.051 0.929 . . . . 0.0 110.757 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.3 p -75.81 -17.13 59.97 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.034 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.554 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 30.6 t -84.25 82.99 8.13 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.076 -1.875 . . . . 0.0 110.348 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.0 p -174.16 -166.06 0.26 Allowed 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.206 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.501 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -108.24 -164.18 21.09 Favored Glycine 0 N--CA 1.44 -1.084 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.829 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.631 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 51.7 mtt180 -73.85 -45.72 49.32 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.334 0.588 . . . . 0.0 112.102 -173.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.805 HD21 HD21 ' A' ' 29' ' ' LEU . 5.7 tt -50.65 -42.08 56.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.124 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.685 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.4 m-30 -69.45 -31.12 69.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -173.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.413 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 60.1 mmtt -58.2 -35.66 71.95 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 123.383 0.427 . . . . 0.0 110.115 -176.387 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.539 ' HG3' ' HE2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -72.0 -37.06 69.88 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.018 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.505 HD11 ' CE2' ' A' ' 60' ' ' PHE . 1.0 OUTLIER -58.82 -38.12 77.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 174.243 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.54 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 44.3 mtt -58.01 -32.37 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.298 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.516 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 56.2 mttt -74.68 -13.2 60.59 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.476 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.4 m-30 -77.64 -14.8 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.213 1.006 . . . . 0.0 109.324 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.54 ' HB3' ' O ' ' A' ' 58' ' ' MET . 16.5 t70 -68.55 -46.35 69.71 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.094 -1.412 . . . . 0.0 108.346 169.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.69 ' HA ' HD12 ' A' ' 65' ' ' ILE . 19.5 t70 -70.32 -42.57 71.77 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 112.063 -2.335 . . . . 0.0 110.361 -173.193 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -62.52 -34.71 66.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.193 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.53 65.52 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.234 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.69 HD12 ' HA ' ' A' ' 62' ' ' ASP . 45.0 mt -59.47 -35.72 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.765 0.793 . . . . 0.0 110.048 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 27.5 tpt180 -65.18 -48.93 71.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.549 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.459 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -79.33 -72.2 0.4 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.769 -170.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.39 -38.34 71.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.742 -175.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.597 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 110.71 141.12 8.67 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 174.066 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.507 ' HB ' HG22 ' A' ' 65' ' ' ILE . 10.9 tp -59.46 -45.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.861 -0.669 . . . . 0.0 110.136 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 27.1 t70 -59.57 -51.48 69.65 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.503 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.3 OUTLIER -58.53 -46.48 86.69 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.428 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.719 HG12 HD11 ' A' ' 104' ' ' ILE . 45.2 mt -60.18 -46.47 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.779 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -54.36 -48.67 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.409 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.9 mt-10 -64.14 -45.03 90.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.851 0.834 . . . . 0.0 109.749 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.793 HG21 ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -67.92 -52.5 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.205 0 CA-C-N 113.891 -1.504 . . . . 0.0 112.838 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 1.002 HG23 ' HA ' ' A' ' 108' ' ' ILE . 6.4 p -52.77 -54.22 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.567 0.698 . . . . 0.0 111.904 -175.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.308 -179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.509 ' HB2' ' ND1' ' A' ' 85' ' ' HIS . . . -67.92 -47.87 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.793 ' HE2' HG21 ' A' ' 76' ' ' ILE . 10.3 mmt -50.5 -24.89 3.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.725 ' HB3' HG22 ' A' ' 117' ' ' ILE . 14.6 m -66.27 -17.39 64.72 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.292 0.568 . . . . 0.0 110.512 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -97.06 -9.24 28.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.791 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.71 69.58 1.25 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.678 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -141.55 -63.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.509 ' ND1' ' HB2' ' A' ' 79' ' ' ALA . 13.8 m80 -83.63 -167.86 1.89 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.831 0.824 . . . . 0.0 112.919 -169.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' HA ' HD13 ' A' ' 87' ' ' ILE . 0.3 OUTLIER 76.35 150.43 0.11 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 113.443 -1.708 . . . . 0.0 113.129 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.483 HD13 ' HA ' ' A' ' 86' ' ' TYR . 2.1 mp -138.31 -75.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.084 -165.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.46 175.06 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.139 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.681 ' HB3' HG22 ' A' ' 101' ' ' THR . 90.3 m-85 -122.6 -66.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.439 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.1 p -80.23 120.79 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 0.0 110.623 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -76.6 -60.13 2.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.527 0.679 . . . . 0.0 109.493 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.42 149.39 19.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.761 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -77.22 87.41 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.975 0.417 . . . . 0.0 109.907 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.495 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 29.1 t70 -155.66 147.59 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.039 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.526 ' HA ' HD11 ' A' ' 98' ' ' LEU . 58.0 tt0 -48.56 -46.99 39.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.459 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.4 tt0 -56.34 -42.1 77.16 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 111.162 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.1 t -78.43 -29.15 46.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 95' ' ' GLN . 90.7 mt -61.83 -49.96 74.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.429 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -64.2 -41.22 97.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.104 0.478 . . . . 0.0 110.754 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG11 ' A' ' 63' ' ' VAL . . . -57.37 -31.0 65.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.755 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.681 HG22 ' HB3' ' A' ' 89' ' ' PHE . 99.3 m -66.69 -33.05 74.78 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.079 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.726 HG13 HD23 ' A' ' 131' ' ' LEU . 2.1 mp -69.77 -52.4 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -67.06 -40.71 93.12 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.773 -0.727 . . . . 0.0 114.132 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.719 HD11 HG12 ' A' ' 73' ' ' ILE . 6.0 tp -58.51 -43.78 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.657 ' O ' HG22 ' A' ' 109' ' ' THR . 77.2 m -72.43 -25.34 61.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.832 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.547 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -68.67 -52.48 30.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.471 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 15.0 tptt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.442 0.639 . . . . 0.0 110.274 -170.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 1.002 ' HA ' HG23 ' A' ' 77' ' ' VAL . 23.7 mt -67.87 -54.82 19.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.884 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.657 HG22 ' O ' ' A' ' 105' ' ' CYS . 0.6 OUTLIER -69.44 -26.18 64.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -174.103 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.547 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.1 pt-20 -78.9 -34.09 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.772 -0.58 . . . . 0.0 111.82 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.55 -27.39 57.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.474 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.499 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 47.2 m0 -70.14 -19.51 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.362 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.48 98.93 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 121.314 -0.469 . . . . 0.0 114.059 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.538 ' CE1' HG21 ' A' ' 41' ' ' ILE . 18.4 m-85 -55.55 -60.21 3.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -110.79 11.39 22.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.895 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 61.91 74.56 0.44 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.829 0.823 . . . . 0.0 110.374 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.725 HG22 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -91.98 158.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.999 -174.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.9 t 74.22 76.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.765 0.793 . . . . 0.0 110.472 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.22 70.67 5.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -62.81 95.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.672 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.67 -89.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.231 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.77 -18.14 4.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.654 0.264 . . . . 0.0 111.287 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -135.89 119.52 17.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.769 0.319 . . . . 0.0 110.464 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 t -66.42 120.27 13.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.861 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 pp -112.22 153.2 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.68 -118.7 1.83 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -144.34 161.04 39.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.37 -167.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.055 0.222 . . . . 0.0 111.427 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . 0.504 ' O ' ' HG3' ' A' ' 132' ' ' MET . 5.1 m -59.18 -24.08 62.78 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.746 0.419 . . . . 0.0 111.95 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.22 -18.81 17.65 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.726 HD23 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -72.55 -16.01 61.76 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.358 0.599 . . . . 0.0 110.867 -178.091 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.985 ' HE3' HG13 ' A' ' 137' ' ' ILE . 4.4 ppp? -123.11 159.81 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.689 ' O ' HD11 ' A' ' 137' ' ' ILE . 2.7 p -92.76 -176.11 4.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.725 -168.566 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.733 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -81.91 -37.34 26.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 -175.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.401 ' O ' HD13 ' A' ' 139' ' ' ILE . 38.9 t70 -72.57 -22.42 60.99 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 111.613 -2.539 . . . . 0.0 109.683 -179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.555 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 36.6 t30 -76.96 -26.15 53.63 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.985 HG13 ' HE3' ' A' ' 132' ' ' MET . 1.1 mt -58.52 -42.76 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.596 173.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.517 ' O ' HD12 ' A' ' 142' ' ' LEU . 35.4 m-80 -73.85 -38.49 64.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.717 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.401 HD13 ' O ' ' A' ' 135' ' ' ASP . 1.7 mp -61.93 -40.07 85.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.691 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.36 -52.26 62.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.805 -177.495 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.598 HD13 HD13 ' A' ' 26' ' ' ILE . 25.3 mm -51.22 -45.17 31.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.253 0.549 . . . . 0.0 109.759 175.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.517 HD12 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.05 -47.58 70.88 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.655 -175.091 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . 0.539 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 62.9 t80 -56.61 -47.74 78.97 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 122.131 0.967 . . . . 0.0 110.402 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.691 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.5 mt -68.22 -42.66 79.48 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.251 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.629 ' HG3' HG12 ' A' ' 20' ' ' ILE . 16.4 mt-10 -53.87 -24.8 17.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 123.904 0.752 . . . . 0.0 112.37 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.427 ' HD3' ' HA ' ' A' ' 146' ' ' LYS . 29.2 mmtp -48.02 -43.03 29.72 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.034 171.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.417 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 1.3 mttt -115.97 -11.62 11.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.154 0.978 . . . . 0.0 109.987 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.691 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -96.59 -179.98 4.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.712 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.248 0.996 0 O-C-N 124.197 0.935 . . . . 0.0 110.087 -172.716 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 tpp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.866 0.365 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.24 101.4 11.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.887 0.375 . . . . 0.0 110.447 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -90.07 149.36 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 56.01 78.76 0.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.765 0.665 . . . . 0.0 111.214 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.8 mt -87.13 42.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.398 0.618 . . . . 0.0 109.405 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.826 ' HB2' ' HA ' ' A' ' 43' ' ' PHE . 7.3 p-10 -147.32 77.67 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.166 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -140.81 -62.6 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.505 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 74.9 mt-10 -136.88 -82.14 0.37 Allowed 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' H ' ' HB2' ' A' ' 8' ' ' GLU . 5.2 m-20 51.17 31.97 7.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.592 1.183 . . . . 0.0 109.948 -176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 78.7 0.57 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 122.726 1.251 . . . . 0.0 112.195 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -65.1 -44.23 95.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.455 175.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.593 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.53 149.13 6.12 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.17 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.0 -53.11 2.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.403 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.877 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -70.65 -6.92 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.761 -177.07 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.696 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.8 p -45.06 -47.12 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.052 169.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . 0.62 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.0 t70 -116.31 18.74 15.14 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.756 -175.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.877 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.2 t0 -53.96 -36.0 62.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.37 -172.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.701 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.7 t70 73.06 -29.41 0.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.424 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.542 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.2 ptmt -119.67 170.88 8.8 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.833 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.736 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.5 tp -84.64 137.8 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.718 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.451 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -115.15 -163.19 0.86 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 121.502 0.668 . . . . 0.0 111.968 -178.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -67.27 159.6 28.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.272 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.518 ' O ' HG21 ' A' ' 137' ' ' ILE . 70.7 mtm180 -55.02 -39.43 69.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.001 0.905 . . . . 0.0 109.449 167.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.34 -8.32 49.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.324 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . 0.639 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.9 t -100.82 -11.3 19.95 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.38 -172.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.54 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 18.9 mm -92.05 -9.35 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.62 -54.87 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.597 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.461 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 4.4 t70 -71.01 -27.82 63.96 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 113.622 -1.627 . . . . 0.0 108.396 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.639 ' HB2' ' O ' ' A' ' 25' ' ' SER . 22.2 tp -64.09 -49.36 72.55 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 111.955 -2.384 . . . . 0.0 111.861 -171.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mm -59.75 -28.14 39.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.501 0.667 . . . . 0.0 109.932 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.64 -44.94 40.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.79 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -59.41 -50.35 74.29 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 174.261 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.404 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 87.4 t80 -64.58 -58.14 7.16 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -166.894 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.712 HG21 HG22 ' A' ' 109' ' ' THR . 41.3 mm -51.78 -42.91 33.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.273 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -67.16 -33.85 76.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.75 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . 0.633 ' O ' HG22 ' A' ' 40' ' ' VAL . 67.0 t90 -68.32 -43.66 77.1 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.586 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 15.8 mmm180 -52.31 -45.65 65.67 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.574 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.5 t-20 -60.67 -49.5 77.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.949 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.501 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.1 -37.25 44.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.396 -179.283 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.669 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 15.7 t -67.02 -25.44 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.684 0.754 . . . . 0.0 110.75 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.58 HG23 ' CE1' ' A' ' 114' ' ' TYR . 20.8 mm -89.02 -62.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.569 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG12 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.72 -48.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.02 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.826 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 2.0 m-85 -86.42 -9.16 56.85 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.075 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.412 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.7 t-20 48.65 55.81 8.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.067 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.669 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 53.9 mtpt -80.73 -143.14 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.186 -1.37 . . . . 0.0 108.758 176.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.47 135.93 42.83 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.344 0.593 . . . . 0.0 110.672 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.444 ' O ' HG13 ' A' ' 47' ' ' ILE . 1.5 tp -74.99 -31.68 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.713 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.417 HG22 HG21 ' A' ' 47' ' ' ILE . 40.8 p -74.2 -19.65 60.46 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.274 -177.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -83.87 82.01 8.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 113.014 -1.903 . . . . 0.0 109.81 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.0 p -170.88 -168.76 0.7 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.253 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.62 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -109.92 -173.02 20.51 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.736 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.701 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 12.4 mtt180 -70.31 -42.09 72.45 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.609 0.719 . . . . 0.0 111.57 -170.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.63 HD23 HD23 ' A' ' 29' ' ' LEU . 5.2 tt -51.43 -49.96 60.66 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.982 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.696 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.3 m-30 -60.27 -42.23 94.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.725 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 53.5 mmtt -48.28 -39.17 20.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.665 ' HG3' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.58 -34.79 70.23 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.439 -177.729 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.518 HD21 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.806 0.336 . . . . 0.0 111.433 172.557 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.529 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 31.4 mtt -62.8 -45.38 92.9 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.725 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 84.4 mttt -48.07 -16.44 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.611 -1.632 . . . . 0.0 113.855 171.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.66 ' O ' HG11 ' A' ' 63' ' ' VAL . 7.0 m-30 -85.23 -18.9 32.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.844 0.83 . . . . 0.0 109.99 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 38.3 t70 -70.92 -38.38 72.94 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.567 ' HA ' HD11 ' A' ' 65' ' ' ILE . 23.5 t70 -74.68 -41.1 60.89 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 112.145 -2.298 . . . . 0.0 109.99 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . 0.66 HG11 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -64.48 -33.1 60.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.723 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.68 -45.47 58.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.874 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.654 HG23 ' HB ' ' A' ' 70' ' ' ILE . 60.7 mt -55.62 -35.64 39.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 171.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -68.58 -44.11 75.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.626 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.476 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.2 OUTLIER -83.74 -69.87 0.61 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.641 -171.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.67 -38.71 73.8 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.836 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . 0.612 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.91 138.57 8.37 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.053 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.654 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.4 tp -58.37 -44.68 89.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.898 -0.651 . . . . 0.0 109.825 -176.314 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.71 -51.77 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.498 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.51 ' O ' HD11 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -60.73 -45.81 92.84 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.323 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.748 HG12 HD11 ' A' ' 104' ' ' ILE . 40.2 mt -57.98 -46.8 87.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.803 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -54.04 -48.34 70.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.371 0.605 . . . . 0.0 110.808 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.37 -41.91 98.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.136 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.805 HG21 ' HE2' ' A' ' 80' ' ' MET . 1.4 mp -73.48 -52.88 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.91 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.944 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.4 p -52.02 -50.83 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.054 0.931 . . . . 0.0 111.869 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.422 ' HG3' HG12 ' A' ' 77' ' ' VAL . 43.0 mt-10 -62.67 -34.52 77.27 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.022 -1.444 . . . . 0.0 112.384 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB3' ' NE2' ' A' ' 85' ' ' HIS . . . -66.48 -37.34 84.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.275 174.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' MET . . . . . 0.805 ' HE2' HG21 ' A' ' 76' ' ' ILE . 17.6 mmt -49.52 -14.03 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 172.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p -67.09 -26.81 66.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.617 0.722 . . . . 0.0 109.543 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.73 -16.86 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.57 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.61 32.04 72.57 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.669 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -160.34 76.41 0.6 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.34 0.57 . . . . 0.0 112.15 -175.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.439 ' NE2' ' HB3' ' A' ' 79' ' ' ALA . 80.4 m-70 -149.38 -65.15 0.22 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 175.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.457 ' HA ' HD12 ' A' ' 87' ' ' ILE . 0.2 OUTLIER -64.28 156.14 29.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -166.501 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 86' ' ' TYR . 3.2 mp -120.82 -96.6 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.081 -164.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.435 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 19.0 m120 -142.66 -63.47 0.42 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.886 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' HB2' ' O ' ' A' ' 88' ' ' ASN . 74.2 m-85 71.64 -157.32 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 111.313 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.422 HG22 ' OG ' ' A' ' 97' ' ' SER . 56.8 p 51.19 69.68 0.62 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.727 0.775 . . . . 0.0 111.449 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HD2' ' HA ' ' A' ' 91' ' ' LYS . 20.0 tptm -82.41 -69.47 0.62 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.111 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -57.24 -31.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.855 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.7 t60 61.49 80.48 0.22 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.426 0.631 . . . . 0.0 111.786 168.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -125.98 158.63 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.428 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -46.1 -41.03 11.76 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.85 -42.18 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.876 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . 0.476 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 10.1 t -78.89 -31.91 45.63 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.3 -51.77 65.62 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.479 ' HB3' HG12 ' A' ' 63' ' ' VAL . 9.5 m-30 -63.12 -40.73 98.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.142 0.496 . . . . 0.0 111.206 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.461 ' O ' HG21 ' A' ' 104' ' ' ILE . . . -57.2 -38.24 73.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.035 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.7 m -59.84 -34.14 72.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.587 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.617 HG13 HD21 ' A' ' 131' ' ' LEU . 2.1 mp -70.12 -52.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.23 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . 0.616 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.39 -42.46 95.96 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.844 -0.693 . . . . 0.0 114.068 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ILE . . . . . 0.748 HD11 HG12 ' A' ' 73' ' ' ILE . 4.8 tp -56.54 -46.81 82.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 109.964 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' CYS . . . . . 0.449 ' HA ' HD13 ' A' ' 108' ' ' ILE . 73.4 m -71.75 -25.25 61.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.32 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.487 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.23 -41.23 73.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.069 0.461 . . . . 0.0 110.085 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.616 ' HZ3' ' HA ' ' A' ' 107' ' ' LYS . 0.0 OUTLIER -65.25 -33.36 75.79 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.064 -177.008 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.944 ' HA ' HG23 ' A' ' 77' ' ' VAL . 37.4 mt -66.35 -52.99 40.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.847 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.712 HG22 HG21 ' A' ' 34' ' ' ILE . 10.9 t -66.03 -31.82 72.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.021 -173.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 37' ' ' ARG . 8.9 pt-20 -75.24 -46.59 32.81 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 122.217 -0.302 . . . . 0.0 111.805 -176.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -53.47 -35.56 60.68 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.981 0.42 . . . . 0.0 111.629 -172.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' TRP . . . . . 0.496 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 51.9 m0 -58.32 -18.92 30.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.411 ' HA2' HG12 ' A' ' 42' ' ' VAL . . . -69.58 -36.2 76.01 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.212 -0.518 . . . . 0.0 114.084 -168.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' TYR . . . . . 0.58 ' CE1' HG23 ' A' ' 41' ' ' ILE . 26.9 m-85 -58.53 -61.7 2.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.406 0.603 . . . . 0.0 111.644 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -111.5 14.99 21.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.9 mttm 64.24 71.83 0.47 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.596 0.56 . . . . 0.0 111.05 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.412 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.7 mt -95.06 157.35 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t 71.5 -171.74 0.16 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.791 0.682 . . . . 0.0 110.528 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 57.09 49.03 14.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -79.3 161.0 26.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? 70.4 -75.6 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.791 0.682 . . . . 0.0 109.588 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -175.37 114.78 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.314 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -163.71 140.07 6.78 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 172.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -156.59 34.5 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.9 mt -132.45 137.78 47.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.16 -174.317 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 170.65 103.76 0.17 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.142 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -95.32 103.08 14.93 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.491 HG23 HG13 ' A' ' 34' ' ' ILE . 17.3 tt -82.34 -7.0 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.119 -173.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.3 m -58.71 -23.78 60.27 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.579 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.52 -9.44 58.21 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.617 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -80.02 -15.32 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.319 0.581 . . . . 0.0 110.565 -176.679 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' MET . . . . . 0.704 ' HE2' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -137.37 179.32 6.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.855 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' THR . . . . . 0.634 ' O ' HD11 ' A' ' 137' ' ' ILE . 18.0 p -132.81 154.71 50.03 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.272 -170.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . 0.825 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.8 OUTLIER -50.88 -27.66 7.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 170.488 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ASP . . . . . 0.42 ' HB3' ' HG1' ' A' ' 133' ' ' THR . 27.6 t70 -71.62 -30.38 65.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.471 178.28 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . 0.704 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 12.4 t-20 -78.14 -28.89 48.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -176.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.825 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -58.06 -37.4 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.821 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASN . . . . . 0.511 ' O ' HD11 ' A' ' 142' ' ' LEU . 26.3 m-80 -62.24 -44.91 95.49 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.487 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ILE . . . . . 0.598 HD11 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.92 -42.05 93.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.718 0.771 . . . . 0.0 108.955 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.618 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.6 -53.85 48.45 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.397 -176.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.409 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 22.2 mm -50.95 -44.92 28.18 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-O 121.274 0.559 . . . . 0.0 109.808 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . 0.511 HD11 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -66.34 -48.65 69.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.864 -176.594 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -56.4 -46.67 80.05 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 122.052 0.929 . . . . 0.0 110.438 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' LEU . . . . . 0.722 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 50.7 mt -67.68 -43.41 80.22 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.36 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLU . . . . . 0.497 ' HG3' HG12 ' A' ' 20' ' ' ILE . 14.6 mt-10 -52.55 -23.96 7.31 Favored 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 124.063 0.852 . . . . 0.0 112.795 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' LYS . . . . . 0.594 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 72.5 mmtt -48.5 -39.39 23.0 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.021 172.384 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.594 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -119.47 -29.3 5.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 122.448 1.118 . . . . 0.0 109.789 178.839 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.736 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.45 177.33 6.04 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 113.109 -1.86 . . . . 0.0 109.69 172.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 20' ' ' ILE . 51.7 t30 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.02 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.436 -1.157 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.825 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.38 142.03 18.27 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.837 0.827 . . . . 0.0 112.612 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -104.03 -47.3 4.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.421 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -83.58 -4.91 58.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.166 -176.147 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -42.37 -49.08 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.917 172.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 38.1 t70 -115.27 20.01 15.18 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.861 0.865 . . . . 0.0 110.602 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 9.4 t0 -49.84 -41.03 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.793 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.608 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 9.9 t70 78.06 -22.61 0.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.89 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG2' ' OD1' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -132.29 170.91 14.39 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 121.068 0.461 . . . . 0.0 111.216 -178.191 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.7 tp -75.08 139.26 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.584 -174.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.3 m -106.64 -168.47 1.42 Allowed 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 121.492 0.663 . . . . 0.0 111.809 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -74.27 163.71 27.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.235 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 137' ' ' ILE . 40.9 mtp180 -52.82 -42.99 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.834 0.826 . . . . 0.0 109.56 167.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HA ' HG13 ' A' ' 27' ' ' ILE . 25.2 t70 -71.59 -7.53 48.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.132 -174.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 14.9 t -96.31 -26.47 15.37 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 19.7 mm -80.72 -8.89 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.538 1.161 . . . . 0.0 108.058 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 23' ' ' ARG . 44.7 mm -69.56 -56.0 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 113.154 -1.839 . . . . 0.0 109.621 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -74.07 -31.28 62.78 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 114.535 -1.212 . . . . 0.0 108.946 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 53' ' ' LEU . 30.0 tp -50.29 -49.67 52.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.854 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 30' ' ' ILE . 6.8 mm -60.2 -35.57 62.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.378 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.5 -47.59 69.53 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -58.51 -50.61 73.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 66.2 t80 -64.97 -55.4 19.3 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 120.746 0.308 . . . . 0.0 111.632 -174.568 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.4 mm -53.68 -33.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.909 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 44.6 m -77.72 -35.32 52.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.894 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.6 t90 -67.28 -40.47 86.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.136 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.752 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.85 -29.97 30.99 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.493 0.663 . . . . 0.0 109.682 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 35' ' ' THR . 29.0 t-20 -81.88 -46.3 14.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.103 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' HG23 ' A' ' 42' ' ' VAL . 7.0 m170 -55.45 -34.98 64.97 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 13.5 t -61.19 -21.27 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.779 0.8 . . . . 0.0 110.155 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 110' ' ' GLU . 19.1 mm -99.04 -62.82 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.899 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -52.93 -52.36 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.985 -179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.4 m-85 -87.28 -11.23 50.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.172 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.711 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 64.0 t30 49.13 57.05 6.88 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.391 -1.731 . . . . 0.0 110.608 -172.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 6.6 mtpm? -74.22 -135.9 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.65 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 3.3 t70 -135.3 151.12 50.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.702 177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.6 tp -78.81 -29.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.151 174.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -81.53 -16.08 52.86 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.561 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.7 t -73.03 82.2 1.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.349 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p 179.82 -170.42 0.14 Allowed 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.34 -165.27 19.29 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.723 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.608 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 42.8 mtt180 -68.78 -47.03 67.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.594 0.712 . . . . 0.0 111.731 -171.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.51 -44.06 56.03 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.82 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 1.9 m-30 -68.05 -31.77 71.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -174.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 51' ' ' GLY . 60.9 mmtt -60.77 -34.37 74.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.937 0.398 . . . . 0.0 109.997 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.84 -37.6 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.39 -178.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.58 -36.65 69.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.267 0.556 . . . . 0.0 110.628 173.353 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.653 ' HA ' HH21 ' A' ' 37' ' ' ARG . 44.6 mtt -59.86 -33.59 72.01 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 58.4 mttt -73.47 -13.23 61.02 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.043 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.616 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -79.21 -13.17 59.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.027 0.917 . . . . 0.0 109.597 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.752 ' HB2' HH22 ' A' ' 37' ' ' ARG . 6.3 t70 -67.3 -42.05 84.35 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 170.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.5 t70 -73.51 -42.8 61.32 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.737 -2.029 . . . . 0.0 110.689 -173.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.35 -34.74 62.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.982 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.36 -41.79 63.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.856 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.8 mt -57.83 -35.59 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.673 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -71.37 -43.85 66.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.084 0.468 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.3 OUTLIER -79.35 -68.82 0.63 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.451 -172.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.04 -37.4 64.31 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 102.97 142.78 12.41 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.767 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -57.06 -43.52 81.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 O-C-N 124.229 0.605 . . . . 0.0 109.496 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -55.08 -52.78 62.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.403 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.795 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.02 -43.92 86.21 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.561 -178.509 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.772 HG12 HD13 ' A' ' 104' ' ' ILE . 38.1 mt -57.61 -46.6 86.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -54.48 -48.35 71.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.938 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.78 -37.32 79.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.735 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.844 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.1 mp -69.15 -52.96 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.65 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.53 -50.97 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.642 0.734 . . . . 0.0 111.378 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 77' ' ' VAL . 88.1 mt-10 -58.2 -39.32 78.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.203 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.42 73.06 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.05 0.453 . . . . 0.0 110.093 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.844 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.0 mmt -48.88 -40.16 28.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.723 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.618 ' HB2' HG21 ' A' ' 117' ' ' ILE . 53.6 p . . . . . 0 N--CA 1.443 -0.824 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.473 -168.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.6 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.14 0.495 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.9 tt0 -58.06 -39.41 78.38 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.722 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 20.8 t -77.64 -33.44 53.55 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.6 mt -55.42 -51.99 65.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.789 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.8 m-30 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.33 -33.32 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.173 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.8 m -66.08 -32.29 73.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -72.38 -53.65 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.71 -40.2 98.89 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.049 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.772 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.69 -39.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.12 -30.1 64.73 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.085 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.21 -36.16 71.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 110.516 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -68.56 -29.49 68.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.558 0.694 . . . . 0.0 109.909 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.511 ' HA ' HG23 ' A' ' 77' ' ' VAL . 39.0 mt -75.6 -48.86 28.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.6 t -62.0 -37.3 84.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.881 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.8 pt-20 -68.59 -49.61 58.02 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.186 -0.321 . . . . 0.0 111.113 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 41.9 t-80 -52.18 -34.41 45.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.608 -173.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.524 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 50.5 m0 -72.31 -21.73 61.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -55.47 -43.38 85.3 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 -168.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.421 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.2 m-30 -50.3 -54.84 18.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 117.37 0.585 . . . . 0.0 112.262 -170.094 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.579 ' CG ' HG12 ' A' ' 117' ' ' ILE . 3.1 ptpp? -111.44 9.56 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.15 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 58.55 63.37 1.71 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.612 0.72 . . . . 0.0 109.47 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 81' ' ' SER . 18.3 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.202 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.1 p -130.48 156.05 45.43 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.39 -170.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.898 ' HA ' HD13 ' A' ' 137' ' ' ILE . 18.2 t70 -49.49 -29.87 7.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.297 0.57 . . . . 0.0 111.108 168.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 139' ' ' ILE . 10.7 t70 -70.77 -28.58 64.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.579 0.705 . . . . 0.0 109.324 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.4 t-20 -78.92 -31.39 45.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.78 -40.48 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.932 178.577 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.554 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.5 m-80 -63.82 -43.38 96.4 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.488 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.7 mt -63.27 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.811 0.815 . . . . 0.0 109.409 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.21 -51.91 65.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.886 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.597 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.2 mm -51.69 -43.89 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.418 0.627 . . . . 0.0 109.725 175.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.5 -48.46 69.73 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.683 -174.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -56.78 -47.14 80.82 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.948 0.88 . . . . 0.0 110.615 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.818 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 36.1 mt -66.95 -43.2 83.79 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.58 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.529 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.3 mt-10 -53.1 -25.15 12.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 124.145 0.903 . . . . 0.0 112.375 -176.409 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 11.5 mmmm -47.72 -39.26 17.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.816 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -121.6 -20.76 6.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 122.113 0.958 . . . . 0.0 110.376 177.363 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.818 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -79.83 178.49 8.16 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.734 -1.575 . . . . 0.0 111.706 178.39 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.179 -166.594 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 120.757 0.313 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.885 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.04 138.03 31.75 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 178.15 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -106.22 -45.46 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.052 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -74.33 -6.93 50.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.167 -178.377 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.2 p -41.72 -47.28 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.066 171.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.543 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.9 t70 -116.34 18.87 15.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.847 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.852 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.7 t0 -51.88 -39.28 58.75 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 111.16 -175.39 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.811 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 19.1 t70 72.62 -24.04 0.2 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.648 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.1 pttp -115.99 171.86 7.52 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.407 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.746 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.3 tp -88.42 136.18 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.442 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 -163.7 0.88 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-O 121.508 0.67 . . . . 0.0 112.068 -176.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 t -64.2 159.54 20.46 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.785 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 44.5 mtt85 -51.66 -43.26 62.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.907 0.86 . . . . 0.0 109.359 167.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . 17.5 t70 -76.43 -0.39 22.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.975 -172.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 6.4 t -94.14 -26.53 16.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.182 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.548 HD13 HD22 ' A' ' 29' ' ' LEU . 25.4 mm -76.55 -13.11 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 CA-C-O 122.589 1.185 . . . . 0.0 108.172 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 24' ' ' ASP . 45.9 mm -68.75 -56.38 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.076 -1.875 . . . . 0.0 109.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -31.89 63.4 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.637 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 53' ' ' LEU . 32.7 tp -50.29 -49.91 52.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.324 -2.216 . . . . 0.0 113.226 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.87 -33.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 -48.41 64.29 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -58.31 -50.76 72.48 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.826 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 72.5 t80 -62.96 -56.18 19.36 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.952 0.406 . . . . 0.0 111.589 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 109' ' ' THR . 43.1 mm -56.37 -31.71 33.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.106 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 28.2 m -77.73 -36.37 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.828 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.611 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.7 t90 -66.97 -41.21 87.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.079 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 ' CD ' ' A' ' 110' ' ' GLU . 33.3 mmm-85 -54.26 -27.17 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.616 0.572 . . . . 0.0 109.821 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 25.9 t-20 -81.43 -45.44 16.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.806 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 16.3 m170 -59.96 -34.62 73.52 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 12.2 t -61.28 -23.04 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.647 0.737 . . . . 0.0 110.439 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 110' ' ' GLU . 25.7 mm -91.17 -64.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.926 -175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' HB ' ' HD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.08 -48.27 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.581 -178.029 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.4 m-85 -92.67 -14.69 27.73 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.196 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.64 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.0 t-20 53.43 58.15 5.49 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.831 -166.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 99.5 mttt -72.41 -132.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.485 175.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.654 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.4 t0 -135.16 143.05 46.27 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.295 0.569 . . . . 0.0 110.654 177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -83.8 -27.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.861 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -81.52 -19.26 42.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.108 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.654 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.3 t -80.5 81.4 6.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.087 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.9 p -171.69 -168.73 0.62 Allowed 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.814 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.543 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.34 -165.86 18.36 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.045 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.811 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mmt180 -71.64 -43.5 66.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.243 0.544 . . . . 0.0 112.026 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.98 -44.25 63.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.229 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-30 -70.83 -32.58 69.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 67.6 mmtt -61.68 -35.01 76.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.515 0.674 . . . . 0.0 109.868 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.9 tp10 -72.76 -37.34 67.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.306 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -57.18 -39.0 74.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 172.195 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 49.3 mtt -57.71 -34.34 69.36 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.779 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 58.7 mttt -69.39 -14.41 62.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.025 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.3 m-30 -76.47 -13.54 60.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.804 0.811 . . . . 0.0 109.72 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' HG13 ' A' ' 65' ' ' ILE . 6.7 t70 -69.24 -39.92 78.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 65' ' ' ILE . 12.1 t70 -73.94 -42.92 59.84 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.363 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.78 -35.19 66.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.807 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.56 64.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.915 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 62' ' ' ASP . 66.6 mt -55.69 -37.82 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.074 0.464 . . . . 0.0 110.682 173.111 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -69.78 -45.96 66.85 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.242 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.463 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -75.95 -72.04 0.34 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.907 -173.629 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CE2' ' HB1' ' A' ' 100' ' ' ALA . 22.8 m-85 -72.82 -32.97 65.89 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.427 -175.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 102.7 139.29 10.39 Favored Glycine 0 N--CA 1.432 -1.588 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.435 175.268 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 65' ' ' ILE . 9.1 tp -59.18 -44.53 92.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -0.751 . . . . 0.0 110.178 -175.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.22 -53.74 52.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.288 0.566 . . . . 0.0 111.266 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.816 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.63 -41.25 88.59 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.61 -176.471 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 104' ' ' ILE . 18.3 mt -58.11 -48.77 83.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.551 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.476 HD21 HG13 ' A' ' 70' ' ' ILE . 95.6 m-20 -57.02 -44.21 82.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.348 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.1 -38.8 69.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.793 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -66.26 -52.58 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.814 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.779 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.1 p -53.51 -50.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 122.032 0.92 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 77' ' ' VAL . 30.9 mt-10 -60.9 -38.46 85.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.281 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.33 86.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.621 0.248 . . . . 0.0 110.91 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.793 ' HE3' HG23 ' A' ' 76' ' ' ILE . 13.0 mmt -46.39 -30.59 2.19 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.893 171.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.796 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.014 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.573 0.225 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 33.2 tt0 -57.55 -38.75 75.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 0.0 110.57 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -37.82 57.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.642 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.9 mm? -61.26 -48.82 79.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.223 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.449 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.6 m-30 -63.21 -39.59 95.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.362 0.601 . . . . 0.0 110.756 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 68' ' ' TYR . . . -57.37 -36.77 71.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.791 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -69.69 -29.12 66.46 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.42 -51.69 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.429 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.65 -39.04 95.18 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.765 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.714 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.53 -40.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.446 ' HA ' HD12 ' A' ' 108' ' ' ILE . 46.0 t -72.26 -28.1 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.269 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.17 75.98 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 110.818 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 78.6 tttt -72.06 -29.08 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.407 0.622 . . . . 0.0 110.069 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.779 ' HA ' HG23 ' A' ' 77' ' ' VAL . 52.8 mt -71.64 -51.37 33.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.52 HG21 HG23 ' A' ' 34' ' ' ILE . 10.0 t -60.27 -32.96 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.859 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.594 ' HB2' HG13 ' A' ' 41' ' ' ILE . 23.2 pt-20 -80.07 -39.55 29.48 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -56.11 -29.35 60.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 111.443 -174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.413 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.5 m0 -71.16 -18.46 62.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.682 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.66 93.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.393 -171.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.7 m-85 -52.98 -63.26 1.2 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.37 19.55 18.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.537 -0.465 . . . . 0.0 112.155 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 60.63 76.06 0.38 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 110.899 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.796 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.3 mt . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.687 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.3 p -93.47 -177.66 4.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.693 -170.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.75 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.7 p-10 -81.46 -31.7 32.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -175.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 139' ' ' ILE . 38.1 t70 -74.67 -19.74 60.15 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 111.743 -2.481 . . . . 0.0 110.185 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 24.5 t-20 -75.29 -31.57 60.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.75 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.2 mp -58.71 -42.54 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.723 175.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.462 ' O ' HD13 ' A' ' 142' ' ' LEU . 37.7 m-80 -67.4 -45.43 76.22 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.793 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.8 mt -61.17 -39.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.761 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.56 -52.37 61.37 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.92 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.7 mm -50.92 -47.17 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.393 0.616 . . . . 0.0 109.471 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -66.45 -49.19 67.5 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.205 -175.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -47.81 78.54 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 122.056 0.931 . . . . 0.0 110.406 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.678 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 55.1 mt -67.03 -41.8 85.95 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.331 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 44.7 mt-10 -52.99 -25.98 13.85 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.932 0.77 . . . . 0.0 112.55 -177.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 31.6 mmmt -50.26 -38.2 39.74 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.639 172.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.43 -10.47 9.28 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.351 1.072 . . . . 0.0 109.595 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.746 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -97.36 177.49 5.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.369 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 C--O 1.251 1.167 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.065 -168.345 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 120.765 0.317 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.711 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.53 143.57 11.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.746 0.784 . . . . 0.0 112.611 177.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -103.5 -46.89 4.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.208 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.91 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.09 -6.56 56.74 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.354 -175.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.657 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -46.66 -45.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.154 173.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.561 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 6.6 t70 -117.18 16.55 14.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.945 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.91 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 25.0 t70 -55.79 -34.87 65.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.668 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.733 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 22.3 t70 74.56 -23.99 0.22 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.763 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.8 pttm -121.83 172.35 8.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 122.857 0.463 . . . . 0.0 111.239 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.1 tp -80.96 136.77 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.218 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.0 -166.89 1.34 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 121.542 0.686 . . . . 0.0 111.55 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 26' ' ' ILE . 41.2 t -74.14 162.73 28.67 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.964 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' HG21 ' A' ' 137' ' ' ILE . 95.3 mtt180 -54.28 -43.84 71.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.647 0.736 . . . . 0.0 109.384 167.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.16 -4.53 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.365 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.5 t -99.56 -25.0 14.57 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.197 -175.184 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.658 ' HB ' HG12 ' A' ' 137' ' ' ILE . 17.9 mm -80.14 -10.23 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.529 1.157 . . . . 0.0 107.995 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.8 mm -68.68 -54.89 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.816 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 8.2 m-20 -72.09 -34.49 68.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 53' ' ' LEU . 33.0 tp -50.74 -51.28 51.5 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.786 -174.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.6 mm -60.04 -34.93 58.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.462 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 16.0 t70 -68.13 -47.85 66.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.315 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.711 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -59.04 -51.62 69.28 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.5 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 84.8 t80 -62.65 -56.62 16.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.986 -174.625 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.552 HG23 HG21 ' A' ' 109' ' ' THR . 30.1 mm -55.03 -32.06 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.945 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 41.4 m -80.08 -34.76 37.81 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.889 175.002 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.5 t90 -66.87 -41.65 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.244 . . . . 0.0 111.657 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 10.9 mmm180 -56.53 -26.75 55.63 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.4 t-20 -78.01 -47.81 17.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.917 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.73 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 9.2 m170 -52.41 -39.53 61.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.663 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.4 t -57.29 -25.05 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.811 0.815 . . . . 0.0 110.559 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 114' ' ' TYR . 19.6 mm -94.0 -65.48 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.559 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.51 -46.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.176 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 2.2 m-85 -90.19 -10.83 42.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.27 -175.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 63.7 t30 50.9 52.1 15.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.677 -174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 54.2 mtpt -76.46 -137.19 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.789 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 2.1 t70 -135.16 145.72 48.05 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.077 0.465 . . . . 0.0 110.112 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -79.54 -28.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.135 174.109 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.7 p -82.81 -17.11 45.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.446 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 44.3 t -77.61 82.84 4.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.485 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.4 p -172.85 -166.24 0.35 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.561 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.36 -165.47 18.28 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.947 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.733 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.3 mtt180 -68.5 -48.0 65.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.433 0.635 . . . . 0.0 111.701 -172.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -51.58 -44.74 62.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.644 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.657 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 54.9 mmtt -62.91 -33.99 76.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.36 0.6 . . . . 0.0 109.437 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 144' ' ' LEU . 14.5 tp10 -72.13 -37.8 69.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -176.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -57.03 -39.03 74.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.487 172.93 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.1 mtt -58.46 -34.37 70.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.808 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -69.79 -14.32 62.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.687 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.623 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.08 -16.17 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.765 0.793 . . . . 0.0 109.496 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' O ' HG13 ' A' ' 65' ' ' ILE . 25.5 t70 -69.76 -42.08 74.33 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 171.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 65' ' ' ILE . 16.3 t70 -74.09 -41.64 61.36 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.316 -173.342 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -61.68 -35.39 67.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.888 -1.506 . . . . 0.0 109.738 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.74 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 62' ' ' ASP . 63.1 mt -57.99 -39.84 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.792 172.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 66' ' ' ARG . 40.2 ttp180 -70.87 -42.0 70.65 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.5 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -76.34 -71.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.089 -174.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.61 -48.68 46.42 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.846 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 120.68 138.11 5.48 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -57.97 -42.46 82.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 34.9 t70 -59.42 -49.81 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -59.55 -45.6 91.32 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.781 178.417 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 104' ' ' ILE . 45.9 mt -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.343 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.16 -47.74 77.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.053 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.1 mt-10 -57.63 -45.05 85.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.298 1.047 . . . . 0.0 109.164 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.614 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -72.78 -53.46 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.594 -173.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -55.17 -52.7 42.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 121.206 0.527 . . . . 0.0 110.57 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.466 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.2 mt-10 -53.92 -45.35 71.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.791 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.28 81.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.579 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.726 ' HG3' HG12 ' A' ' 108' ' ' ILE . 23.1 mmt -48.7 -17.03 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.428 ' N ' ' HZ2' ' A' ' 112' ' ' TRP . 85.7 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.689 . . . . 0.0 109.746 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 98' ' ' LEU . 57.8 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.4 tt0 -61.6 -36.79 81.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -39.88 71.06 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.48 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 95' ' ' GLN . 89.0 mt -54.23 -53.71 49.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.27 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HB3' HG11 ' A' ' 63' ' ' VAL . 13.1 m-30 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.967 0.413 . . . . 0.0 111.384 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.89 -31.46 66.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.429 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.1 m -66.91 -36.17 81.64 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.735 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.2 -53.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.886 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.27 99.78 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.255 -173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.788 HD13 HG12 ' A' ' 73' ' ' ILE . 4.6 tp -55.1 -45.8 77.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.786 0.327 . . . . 0.0 110.501 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.61 ' HA ' HD12 ' A' ' 108' ' ' ILE . 59.1 m -72.72 -24.19 60.95 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.601 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.62 74.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.85 0.357 . . . . 0.0 110.398 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -73.71 -29.32 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.72 0.772 . . . . 0.0 110.619 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.726 HG12 ' HG3' ' A' ' 80' ' ' MET . 42.1 mt -69.19 -46.93 76.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.584 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.552 HG21 HG23 ' A' ' 34' ' ' ILE . 11.2 t -68.34 -30.81 69.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.98 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.567 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 18.1 pt-20 -78.83 -54.35 6.16 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -173.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -58.03 -25.89 61.75 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 111.813 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -66.32 -16.3 63.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.444 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.28 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.476 -0.392 . . . . 0.0 112.997 -174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -52.65 -54.62 30.76 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.3 ptpt -110.25 3.15 19.73 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.161 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm 63.96 81.47 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.684 HD12 ' CE3' ' A' ' 112' ' ' TRP . 11.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.804 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.2 ppp? . . . . . 0 CA--C 1.521 -0.144 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 137' ' ' ILE . 12.3 p -131.27 158.65 40.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -166.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.733 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.1 t70 -48.98 -33.18 10.48 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.781 0.675 . . . . 0.0 111.373 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.81 -32.29 72.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.681 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.522 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.1 t-20 -78.16 -29.94 48.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -175.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -59.12 -37.99 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.975 178.552 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.456 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.7 m-80 -61.77 -45.73 92.62 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.873 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.1 mp -61.85 -42.02 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.886 0.85 . . . . 0.0 108.997 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.64 -53.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.063 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.675 ' HA ' HD11 ' A' ' 20' ' ' ILE . 23.5 mm -50.3 -46.13 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.488 0.661 . . . . 0.0 109.605 175.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -67.1 -49.86 63.51 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.901 -175.746 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 68.8 t80 -57.24 -45.33 84.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 122.159 0.98 . . . . 0.0 110.783 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.725 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 71.6 mt -66.47 -42.97 86.7 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.826 -1.534 . . . . 0.0 110.363 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 19.7 mt-10 -53.26 -24.6 11.84 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 112.518 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.569 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 54.5 mmtt -47.48 -43.75 24.68 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.136 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.569 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -115.48 -12.03 11.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.004 0.907 . . . . 0.0 110.008 179.122 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.725 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -98.08 177.56 5.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.004 -178.445 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.679 -171.338 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.2 144.35 9.56 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.951 0.882 . . . . 0.0 113.155 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -100.9 -53.4 3.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.147 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.993 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -4.47 35.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.195 -174.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.724 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -49.16 -48.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.993 171.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.668 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 5.7 t70 -116.38 19.16 14.91 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.472 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.993 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.4 t0 -52.23 -36.37 52.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.358 -170.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.681 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 14.6 t70 73.01 -29.19 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.096 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.536 ' C ' HD13 ' A' ' 148' ' ' LEU . 26.4 pttm -116.73 170.48 8.56 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.78 -174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -83.43 144.25 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.483 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -168.43 1.5 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.96 0.886 . . . . 0.0 112.544 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -65.68 156.44 32.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.774 -1.557 . . . . 0.0 111.342 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.6 mtm180 -55.75 -36.86 67.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.344 1.068 . . . . 0.0 109.375 168.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -75.64 -2.56 29.97 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.884 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.5 t -105.06 -21.33 13.29 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.115 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.9 mm -79.47 -5.71 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 122.792 1.282 . . . . 0.0 107.957 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.38 -56.41 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.009 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 4.1 m-20 -72.58 -30.84 64.74 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.523 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 53' ' ' LEU . 31.2 tp -50.14 -48.97 53.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 112.6 -2.091 . . . . 0.0 112.833 -175.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.9 mm -61.25 -34.7 61.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.063 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.38 -43.88 69.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.651 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.9 mm-40 -59.36 -51.98 67.58 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.596 177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.46 -56.07 21.63 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.109 0.481 . . . . 0.0 111.584 -174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' O ' HG21 ' A' ' 109' ' ' THR . 46.6 mm -56.06 -36.23 44.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.991 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 88.5 m -73.74 -34.97 64.98 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.916 175.116 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.4 t90 -67.57 -38.9 84.76 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.264 -0.272 . . . . 0.0 111.476 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 110' ' ' GLU . 43.7 mmm-85 -58.92 -21.45 57.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.282 0.563 . . . . 0.0 109.954 175.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.2 t-20 -84.58 -44.87 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.169 177.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.709 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.71 -32.3 29.59 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.704 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.3 t -67.44 -24.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.032 0.92 . . . . 0.0 109.794 -176.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG21 ' O ' ' A' ' 110' ' ' GLU . 27.2 mm -93.42 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.506 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -52.4 -52.33 26.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.137 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.1 m-85 -88.89 -7.7 55.6 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.761 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 54.56 51.14 14.55 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.308 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 48.2 mtpt -77.16 -142.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.524 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 4.3 t0 -134.53 145.31 48.62 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.633 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.4 tp -77.02 -28.73 16.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.988 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -83.33 -16.45 46.09 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.287 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.598 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 37.0 t -77.04 82.86 3.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.233 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -173.56 -162.16 0.15 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.918 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.62 -166.62 19.19 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.826 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.8 mtt180 -75.88 -43.45 45.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.49 0.662 . . . . 0.0 111.624 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 144' ' ' LEU . 6.2 tt -51.49 -42.54 61.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.758 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.2 m-30 -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 60.5 mmtt -60.74 -32.2 71.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.461 0.648 . . . . 0.0 109.771 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -71.62 -42.56 67.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.248 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -55.38 -37.86 68.1 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.958 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 51.1 mtt -57.21 -33.95 68.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.175 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mttt -66.4 -18.85 65.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.031 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.631 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.3 m-30 -78.65 -12.96 60.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.985 0.898 . . . . 0.0 109.77 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.2 t70 -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 171.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.701 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.6 t70 -78.36 -40.81 35.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.319 -2.219 . . . . 0.0 110.673 -171.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.7 -34.92 64.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.22 63.99 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.088 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 62' ' ' ASP . 50.0 mt -58.19 -36.72 58.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.381 172.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -69.7 -45.35 68.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.428 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -75.81 -71.94 0.35 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.467 -175.732 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -70.45 -41.69 72.48 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.479 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.569 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.15 142.57 10.21 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.876 175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.62 -44.02 84.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.017 -0.592 . . . . 0.0 109.653 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 11.1 t70 -57.18 -52.58 64.74 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.587 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.31 -43.96 96.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.767 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 104' ' ' ILE . 30.3 mt -58.95 -45.83 91.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.601 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.18 -47.19 78.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.944 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 73.0 mt-10 -66.38 -40.92 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.782 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -67.52 -52.68 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.139 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.17 -50.5 45.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.928 0.87 . . . . 0.0 111.138 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' N ' HG13 ' A' ' 77' ' ' VAL . 63.4 mt-10 -55.35 -46.36 76.43 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.367 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.91 66.79 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.953 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.782 ' HE3' HG23 ' A' ' 76' ' ' ILE . 14.4 mmt -44.07 -33.66 1.53 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.793 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.493 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.444 -0.75 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 -171.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.4 tt0 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 30.3 tt0 -58.55 -34.05 70.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 176.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.5 t -79.79 -32.81 40.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.521 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 95' ' ' GLN . 74.5 mt -57.88 -47.84 81.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.915 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.2 m-30 -71.25 -39.63 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.946 0.403 . . . . 0.0 111.73 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.472 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.43 -33.37 67.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.561 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -28.35 67.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.752 0.31 . . . . 0.0 111.163 -178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.94 -53.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.318 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.8 96.1 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.754 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.79 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.31 -40.72 82.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.62 -26.19 61.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -71.57 -41.5 68.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.965 0.412 . . . . 0.0 110.509 -176.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -63.57 -32.04 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 110.458 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.777 ' HA ' HG23 ' A' ' 77' ' ' VAL . 41.5 mt -71.48 -49.47 46.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.853 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 34' ' ' ILE . 9.2 t -62.6 -28.62 70.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.42 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mt-10 -65.93 -51.8 55.38 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -54.51 -31.68 56.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.618 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.632 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 54.8 m0 -72.31 -20.14 61.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.42 -47.14 87.41 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.04 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.497 ' CE1' HG23 ' A' ' 41' ' ' ILE . 14.5 m-85 -53.46 -57.04 12.09 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.1 0.45 . . . . 0.0 112.142 -169.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.1 ptpt -110.66 6.81 21.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 112' ' ' TRP . 9.2 mtpm? 61.34 82.94 0.16 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.829 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 81' ' ' SER . 7.6 mt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.602 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.579 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.511 ' O ' HD12 ' A' ' 137' ' ' ILE . 8.6 p -90.25 -176.05 4.71 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -169.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -82.33 -32.59 29.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.107 -2.182 . . . . 0.0 105.107 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.09 -21.12 60.82 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 111.615 -2.539 . . . . 0.0 110.2 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.579 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 22.0 t-20 -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -172.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 26' ' ' ILE . 1.4 mp -57.65 -45.26 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.512 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 142' ' ' LEU . 16.4 m120 -65.88 -42.4 90.36 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.053 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.07 -40.45 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.79 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -66.3 -50.12 64.75 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.47 -175.877 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.9 mm -50.65 -46.0 27.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -65.43 -48.36 73.03 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.963 -177.747 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 76.3 t80 -56.78 -46.58 81.4 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 122.171 0.986 . . . . 0.0 110.146 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.79 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.4 mt -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.701 -1.59 . . . . 0.0 110.313 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 22.2 mt-10 -53.23 -24.84 12.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 124.012 0.82 . . . . 0.0 112.496 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.56 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 22.2 mmtt -48.75 -37.45 18.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.764 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.56 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.9 -11.7 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.074 0.94 . . . . 0.0 110.095 176.608 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.711 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -100.41 178.5 4.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.736 -179.185 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.482 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 18.1 t-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.497 0.719 . . . . 0.0 110.107 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.512 0.196 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.642 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -54.02 142.58 24.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 174.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -106.49 -46.98 3.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.034 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.834 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -72.12 -7.78 50.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.276 -177.247 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.655 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -45.28 -47.16 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.15 171.73 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.605 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 16.8 t70 -116.03 19.27 15.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.378 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.834 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.1 t70 -54.36 -34.76 61.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 -172.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.723 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.3 t70 73.67 -25.4 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.459 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' C ' HD13 ' A' ' 148' ' ' LEU . 14.5 ptmm? -120.7 173.27 7.3 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 123.404 0.682 . . . . 0.0 111.07 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.659 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.9 tp -79.08 138.09 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.541 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.1 -168.34 1.55 Allowed 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 121.767 0.794 . . . . 0.0 111.392 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.591 ' HB3' ' HB2' ' A' ' 25' ' ' SER . 34.7 t -71.77 156.73 39.0 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.494 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 137' ' ' ILE . 96.9 mtt180 -58.05 -37.2 73.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.402 1.096 . . . . 0.0 109.064 169.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.04 -3.21 34.56 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.408 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 5.5 t -104.83 -21.5 13.33 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.846 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 23.4 mm -80.46 -5.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.664 1.221 . . . . 0.0 107.883 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 -56.3 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 112.884 -1.962 . . . . 0.0 109.83 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 98.9 m-20 -72.96 -31.88 64.85 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-O 122.319 1.057 . . . . 0.0 108.401 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 53' ' ' LEU . 28.6 tp -50.22 -49.52 52.56 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.846 -174.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.52 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.8 mm -60.15 -34.5 57.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.8 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.95 -44.56 65.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.2 mm-40 -59.04 -51.94 67.89 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.777 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 83.5 t80 -60.6 -55.76 29.44 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.194 0.521 . . . . 0.0 111.186 -176.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.7 -30.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.903 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 96.2 m -76.94 -40.18 47.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.8 t90 -67.12 -39.07 86.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.283 -178.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -58.04 -23.72 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.182 0.515 . . . . 0.0 109.905 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 35' ' ' THR . 26.2 t-20 -85.24 -42.78 14.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.144 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.635 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 3.3 m-70 -54.45 -31.83 56.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 14.1 t -69.0 -18.54 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 122.055 0.931 . . . . 0.0 109.567 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.4 mm -96.63 -63.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.41 -1.268 . . . . 0.0 112.259 -176.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -52.21 -51.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.232 -178.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -90.42 -7.46 53.09 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.61 -177.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 64.7 t30 48.13 54.16 10.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.576 -174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.635 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 58.2 mtpt -75.85 -142.03 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.025 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 6.7 m-20 -130.07 133.83 46.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 -177.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.7 tp -73.27 -29.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.043 0.925 . . . . 0.0 110.401 176.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -76.99 -17.08 59.11 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.861 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.709 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 40.2 t -84.43 82.89 8.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.13 -1.85 . . . . 0.0 110.357 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.9 p -174.74 -169.45 0.42 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.605 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.35 -165.75 22.85 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.863 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.723 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 55.8 mtt180 -73.43 -44.15 58.85 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.473 0.654 . . . . 0.0 111.429 -172.173 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -51.36 -44.42 62.07 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.599 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.655 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.5 m-85 -69.77 -33.22 72.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 66.8 mmtt -59.93 -34.51 73.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.184 0.516 . . . . 0.0 109.839 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -72.14 -38.88 69.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.665 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -58.38 -37.82 76.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.394 174.14 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.634 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 48.5 mtt -58.84 -34.93 72.13 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.716 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -67.32 -15.61 63.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.739 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.632 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.03 -15.84 58.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.913 0.863 . . . . 0.0 109.536 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.6 t70 -69.29 -40.1 77.91 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 172.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 65' ' ' ILE . 24.4 t70 -76.03 -40.55 53.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 112.426 -2.17 . . . . 0.0 110.335 -173.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -63.82 -34.32 67.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.773 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.69 60.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.139 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.667 HG23 ' HB ' ' A' ' 70' ' ' ILE . 55.0 mt -56.47 -37.78 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.795 0.807 . . . . 0.0 110.162 171.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -69.38 -44.03 72.34 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.47 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.413 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -80.76 -69.35 0.61 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.565 -175.012 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.17 -41.65 66.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.391 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.592 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.85 138.52 8.37 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.319 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.3 tp -57.15 -43.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 114.478 -0.861 . . . . 0.0 110.019 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.86 -52.07 63.95 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.494 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.784 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.88 -42.27 94.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 39.1 mt -59.09 -46.63 91.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.6 -48.18 69.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.98 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.68 -35.22 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.917 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.728 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -71.53 -52.73 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.726 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.98 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.51 -53.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.508 0.671 . . . . 0.0 111.823 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 77' ' ' VAL . 27.3 mt-10 -58.38 -37.8 76.0 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.465 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -51.3 70.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.728 ' HE3' HG23 ' A' ' 76' ' ' ILE . 9.5 mmt -47.72 -34.72 8.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.253 175.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.589 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m . . . . . 0 N--CA 1.44 -0.926 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.915 -173.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.546 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.9 tt0 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.2 tt0 -58.62 -35.38 72.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.293 0.568 . . . . 0.0 110.027 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 t -80.19 -34.01 37.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.59 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 95' ' ' GLN . 71.3 mt -54.9 -54.01 48.07 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.112 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.468 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 12.8 m-30 -65.54 -38.71 90.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.73 -33.18 68.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 m -66.02 -34.05 77.2 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.895 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.85 -53.83 18.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.455 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.87 -40.32 99.11 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.97 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -57.95 -40.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.4 t -72.33 -28.78 63.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.45 -37.54 71.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.269 0.556 . . . . 0.0 109.939 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -68.68 -28.75 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.145 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.98 ' HA ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt -76.9 -52.48 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.5 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.2 t -58.12 -31.44 67.17 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.319 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 41' ' ' ILE . 6.0 pt-20 -72.51 -39.22 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.4 -34.54 58.12 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 111.279 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.509 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 42.6 m0 -71.29 -17.8 62.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.022 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -64.65 -47.1 87.25 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.207 -0.521 . . . . 0.0 113.921 -170.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.483 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.3 m-85 -50.45 -61.19 2.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -170.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HG3' HG12 ' A' ' 117' ' ' ILE . 18.9 ptpt -110.88 9.54 22.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.54 -175.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 63.27 78.36 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.507 0.67 . . . . 0.0 110.088 -175.403 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 81' ' ' SER . 9.5 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.47 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.52 ' HG2' HG13 ' A' ' 30' ' ' ILE . 3.9 ppp? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 137' ' ' ILE . 38.1 p -132.99 154.1 50.83 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.764 -169.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.79 ' HA ' HD13 ' A' ' 137' ' ' ILE . 9.9 t70 -48.27 -32.3 7.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.683 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.32 -32.51 71.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.392 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.462 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 11.2 t-20 -78.21 -29.67 48.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -57.24 -39.01 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.545 178.216 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.532 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.8 m-80 -65.9 -43.61 87.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.924 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.03 -41.69 92.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.648 0.737 . . . . 0.0 109.04 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.02 -51.56 63.61 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.817 -176.586 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.615 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.5 mm -51.05 -45.82 30.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-O 121.292 0.568 . . . . 0.0 109.476 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -65.75 -49.05 69.8 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.13 -176.428 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 76.8 t80 -55.93 -46.5 78.47 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.152 0.977 . . . . 0.0 110.273 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.729 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 39.1 mt -68.13 -45.86 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.057 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.4 mt-10 -53.18 -24.27 10.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 124.138 0.899 . . . . 0.0 112.773 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 71.8 mmtt -47.9 -38.87 17.38 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.665 171.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -119.76 -15.75 8.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.151 0.977 . . . . 0.0 110.21 176.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.729 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -94.19 175.5 6.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.734 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 25.8 t-20 . . . . . 0 C--O 1.249 1.058 0 O-C-N 125.148 1.53 . . . . 0.0 108.763 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 120.895 0.379 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.781 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.51 140.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.094 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -106.46 -44.08 4.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.862 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.29 -4.67 51.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.292 -177.588 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 p -41.25 -48.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.031 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 27.0 t70 -116.03 20.2 14.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.157 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 17.9 t70 -51.14 -38.54 52.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.18 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.831 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 26.7 t70 73.38 -18.98 0.35 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.201 172.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.7 pttp -121.17 172.22 8.14 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.694 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 9.7 tp -78.39 135.39 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.5 m -104.12 -169.71 1.67 Allowed 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 121.647 0.737 . . . . 0.0 111.822 -175.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -74.03 163.9 27.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.323 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HD2' HD22 ' A' ' 138' ' ' ASN . 18.2 mtp180 -51.68 -44.44 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.736 0.779 . . . . 0.0 109.141 167.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.02 -8.02 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.047 -171.674 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.5 -29.84 15.33 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.197 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.6 mm -74.22 -17.41 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-O 122.437 1.113 . . . . 0.0 108.506 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' ARG . 47.9 mm -64.93 -55.89 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.065 -1.879 . . . . 0.0 109.604 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.67 64.88 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.718 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 53' ' ' LEU . 22.3 tp -51.1 -51.59 51.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.264 -2.243 . . . . 0.0 113.45 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.666 HG13 ' SD ' ' A' ' 132' ' ' MET . 3.9 mm -61.14 -32.63 53.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -174.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.53 -41.97 68.51 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.781 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.2 mm-40 -58.44 -50.49 73.52 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 176.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.78 -48.78 65.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.703 0.764 . . . . 0.0 110.76 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mm -58.82 -34.04 51.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.505 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -77.7 -31.28 52.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.39 0.614 . . . . 0.0 110.523 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.3 t90 -68.2 -41.49 81.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.776 HH22 ' HB2' ' A' ' 61' ' ' ASP . 12.7 mmt85 -50.78 -31.87 18.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.339 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 27.0 t-20 -81.81 -44.02 17.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.466 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.524 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 38.1 m170 -61.8 -33.53 74.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.787 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 t -59.36 -28.77 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.898 0.856 . . . . 0.0 110.134 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 114' ' ' TYR . 27.0 mm -85.84 -63.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.219 -174.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -47.47 -51.67 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.939 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 4.9 m-85 -93.93 -8.0 41.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.22 -173.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.9 t-20 56.21 55.39 6.78 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.724 -171.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 63.3 mttp -73.61 -139.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.505 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -135.83 146.07 47.12 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 177.004 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.2 tp -82.86 -27.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.257 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 p -83.78 -13.14 54.59 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.135 0.969 . . . . 0.0 108.556 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.1 t -82.43 82.52 7.84 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.571 -1.649 . . . . 0.0 110.706 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.6 p -171.86 -171.42 0.88 Allowed 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.586 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -106.55 -166.04 22.67 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.845 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.831 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 8.7 mmt180 -70.99 -41.95 70.27 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.103 0.561 . . . . 0.0 111.674 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 29' ' ' LEU . 3.2 tt -51.94 -48.1 64.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.239 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 3.0 m-30 -68.18 -39.07 82.61 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 68.6 mmtt -50.91 -37.41 43.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.691 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.6 tp10 -72.25 -39.91 68.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -55.77 -37.0 67.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.826 172.619 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.527 ' HA ' HH21 ' A' ' 37' ' ' ARG . 48.9 mtt -58.55 -34.46 71.05 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.883 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 55.8 mttt -70.09 -15.21 62.95 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.5 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.624 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -78.07 -14.37 59.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.945 0.879 . . . . 0.0 109.759 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.776 ' HB2' HH22 ' A' ' 37' ' ' ARG . 8.0 t70 -68.26 -40.65 81.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 171.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 65' ' ' ILE . 9.5 t70 -74.89 -43.05 56.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.27 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.2 p -60.9 -35.41 64.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.143 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.2 -43.78 60.78 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.218 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.3 mt -56.51 -34.87 42.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.487 0.661 . . . . 0.0 110.481 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -71.65 -42.43 67.57 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 -73.05 0.37 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.62 -173.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.92 -39.22 76.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.623 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 107.31 144.83 11.72 Favored Glycine 0 N--CA 1.425 -2.049 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.935 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -58.34 -44.76 89.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.888 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.6 t70 -56.69 -53.51 56.87 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.143 0.497 . . . . 0.0 111.46 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.93 -41.74 95.26 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.74 -177.787 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 20.3 mt -59.55 -47.76 89.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.44 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -55.64 -46.13 77.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.958 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 14.2 mt-10 -71.15 -39.42 71.96 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.811 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.786 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -67.72 -51.9 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.387 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.1 -51.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.639 0.733 . . . . 0.0 111.03 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.9 mt-10 -56.43 -40.15 74.26 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.159 -1.382 . . . . 0.0 112.341 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.36 73.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.376 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.786 ' HE3' HG23 ' A' ' 76' ' ' ILE . 10.3 mmt -45.63 -34.5 3.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.171 0.51 . . . . 0.0 111.206 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.684 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.437 -1.095 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.729 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.548 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.7 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.36 -34.46 76.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -34.81 64.05 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 95' ' ' GLN . 91.9 mt -62.66 -44.09 97.14 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.847 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.7 m-30 -70.66 -38.7 73.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 111.577 174.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.5 -34.51 69.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.335 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -26.0 65.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.15 -54.71 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.293 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -65.56 -38.64 94.93 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.814 -175.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -58.73 -43.34 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.649 ' HA ' HD12 ' A' ' 108' ' ' ILE . 34.6 t -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -71.35 -37.95 71.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -64.26 -36.89 85.56 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.429 0.633 . . . . 0.0 110.506 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.876 ' HA ' HG23 ' A' ' 77' ' ' VAL . 40.2 mt -66.37 -50.13 70.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.79 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.3 t -63.8 -35.45 80.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.022 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 38' ' ' ASN . 14.6 pt-20 -74.95 -34.92 62.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.448 -177.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -54.45 -45.41 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 110.704 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.57 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.2 m0 -59.97 -18.86 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -55.65 -58.29 14.69 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 114.27 0.468 . . . . 0.0 114.27 -172.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' A' ' 41' ' ' ILE . 34.5 m-85 -55.2 -48.22 74.17 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -164.467 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HG3' HG12 ' A' ' 117' ' ' ILE . 9.0 ptmm? -112.32 7.67 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.871 -0.732 . . . . 0.0 112.389 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 59.58 81.96 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 -173.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.684 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.9 mt . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.316 -171.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.666 ' SD ' HG13 ' A' ' 30' ' ' ILE . 24.5 ptm . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 137' ' ' ILE . 11.3 p -114.25 -177.18 3.07 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.751 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.5 p-10 -83.54 -30.1 27.35 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.491 ' O ' HD12 ' A' ' 139' ' ' ILE . 34.7 t70 -75.02 -19.4 60.07 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.565 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 19.3 t-20 -75.18 -29.73 60.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.751 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mp -59.33 -41.3 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.869 175.097 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.495 ' O ' HD13 ' A' ' 142' ' ' LEU . 16.3 m120 -69.39 -44.42 71.49 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.991 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.6 mt -61.04 -39.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.618 0.723 . . . . 0.0 109.541 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.96 -51.76 65.65 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.712 -178.89 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.559 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.8 mm -51.39 -45.97 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -65.98 -49.46 67.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.19 -175.875 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.11 -46.05 86.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.042 0.925 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 56' ' ' GLU . 63.2 mt -67.36 -40.74 85.82 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 25.8 mt-10 -51.39 -30.49 19.22 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.914 0.758 . . . . 0.0 112.075 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.502 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 30.6 mtpt -56.21 -35.94 67.87 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.357 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -117.06 -13.41 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.895 0.855 . . . . 0.0 109.894 -178.374 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.694 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -94.22 174.99 6.87 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 113.647 -1.615 . . . . 0.0 110.53 179.366 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 C--O 1.249 1.073 0 O-C-N 123.758 0.661 . . . . 0.0 110.185 -172.072 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 111.535 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.72 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.83 147.21 9.31 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.685 0.755 . . . . 0.0 112.49 176.093 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -113.25 -42.9 3.43 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.275 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -84.88 -5.78 59.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.982 -178.282 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.676 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -40.79 -49.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.326 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 25.2 t70 -115.74 19.94 14.91 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.645 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.6 t0 -53.19 -33.39 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.749 -172.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.65 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.1 t70 72.6 -25.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.047 0.842 . . . . 0.0 111.648 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.4 pttm -121.56 171.89 8.49 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.226 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.665 HD11 ' HA ' ' A' ' 141' ' ' ILE . 7.0 tp -80.74 139.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.03 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.04 -170.13 1.84 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 121.594 0.711 . . . . 0.0 111.646 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' HG12 ' A' ' 26' ' ' ILE . 34.1 t -73.22 163.11 28.58 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.468 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.3 mtm180 -56.45 -40.84 75.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.074 0.94 . . . . 0.0 109.29 168.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.02 -5.57 39.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.843 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.2 t -100.61 -25.95 13.99 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.588 -173.19 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.595 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 21.9 mm -79.96 -9.75 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 137' ' ' ILE . 38.8 mm -67.7 -56.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.115 -1.857 . . . . 0.0 109.483 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.72 -32.18 63.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.678 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 53' ' ' LEU . 21.1 tp -50.99 -50.1 58.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.053 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.553 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.6 mm -58.9 -35.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.992 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -42.47 71.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.571 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.72 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.5 mt-10 -58.65 -50.99 71.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.391 0.139 . . . . 0.0 111.103 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -64.45 -55.95 17.45 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.007 0.432 . . . . 0.0 111.793 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG23 HG21 ' A' ' 109' ' ' THR . 46.7 mm -57.41 -29.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.07 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.7 m -76.58 -36.94 57.27 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.385 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.5 t90 -67.24 -38.96 86.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.674 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.54 -30.22 29.48 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -82.09 -47.36 12.67 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 1.2 m-70 -52.08 -41.89 62.76 Favored 'General case' 0 CA--C 1.527 0.06 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.9 t -57.59 -26.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 122.078 0.942 . . . . 0.0 110.255 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.502 HG23 ' CE1' ' A' ' 114' ' ' TYR . 22.4 mm -90.49 -62.91 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 CA-C-N 114.526 -1.216 . . . . 0.0 112.354 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.76 -51.1 29.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.139 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.7 m-85 -87.4 -11.23 49.85 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.343 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.6 t-20 54.9 46.18 24.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.51 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 22.9 mtpp -72.46 -141.5 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.934 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 18.8 m-20 -133.03 138.21 46.71 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.332 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.2 tp -80.3 -27.76 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.437 1.113 . . . . 0.0 110.038 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.2 p -78.59 -16.44 57.4 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.574 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.54 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.7 t -89.44 82.89 6.38 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.222 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 p -169.65 -169.23 0.88 Allowed 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.813 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.564 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.34 -167.63 22.9 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.65 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 50.5 mtt180 -67.69 -47.04 70.54 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.454 0.645 . . . . 0.0 111.303 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 29' ' ' LEU . 5.3 tt -51.25 -44.69 61.81 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.871 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-30 -69.9 -31.91 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 60.0 mmtt -62.08 -32.58 73.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.43 0.633 . . . . 0.0 109.761 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 79.4 mm-40 -71.23 -41.43 70.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.896 -177.07 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -55.41 -37.09 67.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.739 173.106 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.9 mtt -59.32 -31.89 69.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.137 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 53.6 mttt -74.74 -12.89 60.52 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.944 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -80.98 -14.54 57.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.026 0.917 . . . . 0.0 109.371 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.674 ' HB2' HH22 ' A' ' 37' ' ' ARG . 7.9 t70 -66.63 -41.05 88.93 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 65' ' ' ILE . 10.2 t70 -75.27 -42.8 54.21 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.502 -2.136 . . . . 0.0 110.308 -173.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.4 p -60.71 -34.94 60.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.094 -1.412 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.96 61.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.244 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 62' ' ' ASP . 56.7 mt -58.46 -35.6 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.759 0.79 . . . . 0.0 110.459 171.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -70.92 -39.37 72.75 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -74.19 0.38 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.32 -175.433 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -71.64 -40.38 69.76 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.183 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.605 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 106.47 139.9 9.64 Favored Glycine 0 N--CA 1.43 -1.741 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.059 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.0 tp -57.04 -44.14 82.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.951 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -51.46 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.777 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.576 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -65.96 -40.41 91.27 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.112 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.794 HG12 HD13 ' A' ' 104' ' ' ILE . 43.8 mt -57.32 -47.37 84.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.057 0.456 . . . . 0.0 110.357 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -53.47 -46.85 70.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.939 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.57 -37.32 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.835 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.94 -53.9 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.629 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.816 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -53.94 -51.07 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.75 0.786 . . . . 0.0 111.613 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 41.6 mt-10 -59.12 -39.64 82.95 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.408 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.44 84.68 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.044 0.45 . . . . 0.0 110.486 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.835 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.1 mmt -48.9 -36.53 17.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.188 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.562 ' HB2' HG21 ' A' ' 117' ' ' ILE . 83.2 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 110.449 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.5 tt0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.52 -40.96 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.719 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -70.3 -36.21 74.19 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.467 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.0 mt -57.35 -54.21 49.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.205 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 11.4 m-30 -65.61 -38.96 90.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.917 0.389 . . . . 0.0 111.305 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.66 -32.82 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.481 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.6 m -67.13 -32.25 73.24 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.78 -53.72 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.381 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.51 95.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.83 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.794 HD13 HG12 ' A' ' 73' ' ' ILE . 5.9 tp -59.61 -39.19 78.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.066 0.46 . . . . 0.0 109.839 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.556 ' HA ' HD12 ' A' ' 108' ' ' ILE . 42.2 t -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.43 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.7 -35.57 75.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 111.039 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' A' ' 61' ' ' ASP . 24.1 mttm -73.99 -27.91 61.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.569 . . . . 0.0 111.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.816 ' HA ' HG23 ' A' ' 77' ' ' VAL . 51.8 mt -68.64 -47.54 76.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.897 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.412 HG21 HG23 ' A' ' 34' ' ' ILE . 7.3 t -66.0 -36.32 82.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.355 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 41' ' ' ILE . 10.1 pt-20 -70.79 -44.82 65.82 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -50.83 -36.09 35.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.93 0.492 . . . . 0.0 111.99 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 49.2 m0 -71.96 -19.37 61.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.7 98.34 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.171 -0.537 . . . . 0.0 114.115 -168.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.502 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.7 m-85 -51.51 -61.35 2.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.085 0.442 . . . . 0.0 112.129 -170.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -111.6 15.74 20.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.618 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.3 71.8 0.54 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.421 0.629 . . . . 0.0 110.849 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' A' ' 81' ' ' SER . 17.5 mt . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.654 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.0 p -126.28 155.49 41.84 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -168.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.95 ' HA ' HD13 ' A' ' 137' ' ' ILE . 6.9 t70 -48.62 -31.08 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.781 0.676 . . . . 0.0 111.069 169.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.0 -29.56 64.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.654 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 10.5 t-20 -78.25 -27.59 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.95 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.8 -37.23 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.711 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.518 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.8 m-80 -63.65 -44.55 93.5 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.453 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.44 -43.37 96.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.371 -0.832 . . . . 0.0 108.8 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.7 -52.16 64.37 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.185 -1.371 . . . . 0.0 110.843 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.665 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.3 mm -51.68 -43.68 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 109.899 176.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.15 -48.72 67.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.648 -175.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 73.0 t80 -56.51 -47.72 78.71 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.199 1.0 . . . . 0.0 110.312 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 39.9 mt -67.1 -42.42 84.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.335 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 148' ' ' LEU . 14.7 mt-10 -55.23 -24.4 27.37 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 124.092 0.87 . . . . 0.0 112.525 -176.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 6.4 mmmm -47.74 -39.05 16.72 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.271 170.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -118.47 -11.46 9.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.795 0.807 . . . . 0.0 110.319 176.488 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -102.1 174.64 5.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.13 -1.395 . . . . 0.0 112.411 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 18.2 t-20 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 113.739 -1.573 . . . . 0.0 108.727 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 120.74 0.305 . . . . 0.0 111.534 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.71 141.61 16.43 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.736 0.779 . . . . 0.0 112.706 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -104.13 -42.31 5.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.524 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.939 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.02 -10.54 59.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.36 -177.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.7 p -47.25 -48.43 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.032 175.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 26.8 t70 -115.55 20.57 14.63 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.391 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.939 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 37.2 t0 -49.62 -40.76 40.31 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.069 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.664 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 8.3 t70 74.45 -19.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.956 -1.475 . . . . 0.0 111.522 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' C ' HD13 ' A' ' 148' ' ' LEU . 60.5 pttt -125.93 170.81 11.31 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.84 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.752 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 4.9 tp -86.51 138.63 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.145 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -162.51 0.81 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.234 0.54 . . . . 0.0 111.544 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.12 162.8 18.89 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.481 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.3 mtt180 -59.26 -38.81 81.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.168 0.985 . . . . 0.0 108.919 169.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HA ' HG13 ' A' ' 27' ' ' ILE . 22.4 t70 -72.26 -4.68 31.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.943 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.73 -28.27 16.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -176.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' A' ' 137' ' ' ILE . 22.1 mm -78.37 -8.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.626 1.203 . . . . 0.0 108.041 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.441 HG13 ' HA ' ' A' ' 24' ' ' ASP . 45.2 mm -72.2 -56.01 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.954 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 m-20 -72.59 -31.62 65.35 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 122.513 1.149 . . . . 0.0 108.441 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 53' ' ' LEU . 33.7 tp -51.03 -50.16 59.13 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 112.544 -2.116 . . . . 0.0 112.952 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.86 -35.04 49.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.5 -47.42 60.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 4.2 mm-40 -58.51 -51.42 69.96 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.545 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 77.0 t80 -60.75 -56.7 18.06 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.628 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.36 -33.7 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 79.1 m -75.69 -35.94 60.17 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 111.019 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 73.6 t90 -67.26 -39.8 86.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.994 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 37' ' ' ARG . 16.9 mmm180 -58.97 -20.85 56.41 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.995 0.426 . . . . 0.0 110.247 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.5 t-20 -85.23 -46.09 11.37 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.264 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.714 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 11.6 m170 -52.57 -39.82 61.94 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 16.7 t -59.09 -24.05 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.732 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 110' ' ' GLU . 20.5 mm -93.36 -65.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.77 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -48.15 50.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.117 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.5 m-85 -89.6 -10.05 47.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.454 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 63.5 t30 53.0 50.88 16.95 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.317 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.714 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 57.3 mtpt -75.34 -136.97 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.783 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -135.44 149.63 49.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.429 0.633 . . . . 0.0 110.723 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.8 tp -79.75 -29.8 13.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.403 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 p -79.93 -15.32 57.54 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.828 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -74.74 82.19 2.09 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.13 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p 178.1 -173.47 0.14 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.422 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.556 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -115.26 -166.74 15.1 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.303 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.664 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.0 mmt180 -63.21 -47.44 82.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.254 0.622 . . . . 0.0 111.597 -171.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 29' ' ' LEU . 6.3 tt -52.34 -47.64 65.95 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.919 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.632 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.0 m-85 -67.51 -32.62 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -174.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 55.4 mmtt -60.45 -35.11 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -72.5 -37.19 68.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.843 -176.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -55.69 -38.26 69.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 173.915 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 41.6 mtt -59.39 -34.6 72.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.863 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 47.6 mttt -73.31 -11.25 60.43 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.751 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -76.92 -13.51 59.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.107 0.956 . . . . 0.0 109.316 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' HG13 ' A' ' 65' ' ' ILE . 5.9 t70 -69.01 -39.56 79.23 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.788 171.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.854 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.2 t70 -75.42 -43.72 48.37 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.711 -2.04 . . . . 0.0 110.69 -173.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.8 p -60.05 -34.43 56.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.032 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.6 64.09 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.966 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 62' ' ' ASP . 53.4 mt -57.66 -35.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.151 0.501 . . . . 0.0 110.497 172.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -68.07 -49.32 62.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.46 0.648 . . . . 0.0 110.081 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -70.23 0.43 Allowed 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.66 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 49.9 m-85 -71.74 -37.26 70.58 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.202 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 100.17 142.46 13.09 Favored Glycine 0 N--CA 1.431 -1.694 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.773 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -43.03 58.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 124.177 0.575 . . . . 0.0 109.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.86 -52.96 63.07 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.106 0.479 . . . . 0.0 111.197 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.818 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -78.61 -2.5 39.26 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.636 -176.041 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.676 HG12 HD13 ' A' ' 104' ' ' ILE . 12.6 mt -90.4 -48.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 168.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -54.69 -47.74 73.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.619 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.28 -42.19 99.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.111 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.806 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -72.7 -53.5 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.477 -175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -53.22 -52.38 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.76 0.79 . . . . 0.0 111.626 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 77' ' ' VAL . 34.8 mt-10 -59.83 -39.63 85.72 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.432 -1.258 . . . . 0.0 112.328 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.54 96.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.945 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.807 ' HG3' HG12 ' A' ' 108' ' ' ILE . 18.4 mmt -42.68 -41.25 3.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.328 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.656 ' HB2' ' CG2' ' A' ' 117' ' ' ILE . 71.2 p . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.367 -170.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.0 tt0 . . . . . 0 C--O 1.234 0.254 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.12 -40.1 92.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.847 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -37.9 76.35 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.047 0.451 . . . . 0.0 109.837 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 95' ' ' GLN . 92.5 mt -58.76 -54.14 50.5 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.337 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.1 m-30 -62.76 -39.78 95.25 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -33.52 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.838 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -67.77 -33.16 74.29 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.38 -54.84 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.348 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -64.07 -40.48 98.18 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.857 -0.687 . . . . 0.0 114.123 -174.281 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.676 HD13 HG12 ' A' ' 73' ' ' ILE . 6.3 tp -57.93 -41.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 109.93 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.817 ' HA ' HD12 ' A' ' 108' ' ' ILE . 74.8 m -73.91 -25.52 60.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.321 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.43 -35.24 73.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.332 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 9.0 mmtm -63.04 -30.26 71.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.453 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 105' ' ' CYS . 57.8 mt -75.71 -47.88 31.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.286 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.9 t -63.05 -36.62 84.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.069 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.54 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.6 pt-20 -71.89 -42.58 66.62 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.147 -0.346 . . . . 0.0 111.892 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -55.85 -33.06 64.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.833 0.349 . . . . 0.0 111.741 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -71.24 -19.85 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.9 79.0 Favored Glycine 0 C--O 1.225 -0.419 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.978 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.9 m-85 -52.85 -58.77 5.82 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -170.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.447 ' HG3' HG12 ' A' ' 117' ' ' ILE . 23.7 pttm -112.24 12.48 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 61.59 80.33 0.22 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.312 0.577 . . . . 0.0 110.957 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.656 ' CG2' ' HB2' ' A' ' 81' ' ' SER . 3.5 mt . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -175.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 137' ' ' ILE . 36.9 p -139.34 154.8 47.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.415 -174.311 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.761 ' HA ' HD13 ' A' ' 137' ' ' ILE . 16.1 t70 -48.38 -31.64 6.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.589 0.709 . . . . 0.0 110.978 165.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.44 ' O ' HD12 ' A' ' 139' ' ' ILE . 30.2 t70 -71.68 -26.99 62.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.585 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -79.78 -33.62 40.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.22 -177.481 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.761 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -56.69 -39.55 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 179.467 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 20.5 m-80 -64.45 -42.93 95.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.792 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.8 mt -63.46 -40.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.584 0.706 . . . . 0.0 109.625 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.77 -50.98 66.88 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.126 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.8 mm -51.13 -47.07 32.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -65.57 -48.94 70.66 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.096 -175.566 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -56.49 -47.69 78.72 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.962 0.887 . . . . 0.0 110.565 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.787 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 54.9 mt -67.8 -41.27 83.4 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.074 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.5 mt-10 -53.3 -24.15 10.98 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.101 0.876 . . . . 0.0 112.813 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.618 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 13.3 mmmm -48.28 -39.09 20.5 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.885 171.545 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.618 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.32 -19.81 7.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.446 1.117 . . . . 0.0 110.157 178.533 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.787 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -83.78 176.04 9.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.725 175.699 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.0 -170.158 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.2 0 CA-C-O 120.94 0.4 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -52.91 145.89 11.85 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.656 0.741 . . . . 0.0 112.331 174.208 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -108.39 -48.53 3.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.398 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.783 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -77.34 -6.92 55.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.021 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -44.22 -47.36 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.43 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.603 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 18.0 t70 -115.67 17.89 16.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.304 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.0 t70 -53.58 -38.05 63.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.705 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.846 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 74.31 -18.53 0.41 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.452 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.5 pttp -122.72 172.92 8.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 C-N-CA 123.439 0.696 . . . . 0.0 111.241 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -81.28 135.72 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.175 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -102.86 -169.79 1.71 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.562 0.696 . . . . 0.0 111.237 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -71.79 168.45 17.8 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.627 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.7 mtt180 -55.49 -44.33 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.018 0.913 . . . . 0.0 109.247 168.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.69 -5.78 42.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.245 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.3 t -99.3 -24.27 14.89 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.692 -173.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.559 ' HB ' HG13 ' A' ' 137' ' ' ILE . 21.0 mm -81.21 -6.69 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 122.586 1.184 . . . . 0.0 107.918 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.1 mm -72.58 -55.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-N 113.134 -1.848 . . . . 0.0 110.25 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -73.05 -30.71 63.92 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 122.357 1.075 . . . . 0.0 108.479 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 53' ' ' LEU . 24.1 tp -50.65 -49.35 57.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 112.464 -2.153 . . . . 0.0 113.192 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 30' ' ' ILE . 4.1 mm -59.69 -35.7 61.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.065 -176.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.5 -42.04 68.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -57.97 -50.7 72.48 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.809 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -65.48 -56.97 9.5 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.9 -174.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -55.23 -33.8 31.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.819 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.4 m -77.96 -34.08 51.24 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.112 -0.368 . . . . 0.0 110.913 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.8 t90 -66.75 -36.57 82.74 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.417 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.85 -23.3 52.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.258 174.114 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -84.57 -49.59 8.45 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 30.5 m80 -52.33 -33.94 44.91 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.5 t -67.55 -23.07 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 122.179 0.99 . . . . 0.0 109.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 110' ' ' GLU . 26.4 mm -92.2 -61.21 2.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.085 -175.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.18 -49.2 41.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.418 -179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -88.53 -12.2 43.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.35 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.4 t-20 51.55 58.16 5.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.375 -171.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 5.4 mtpm? -75.76 -138.3 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.696 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 24.4 m-20 -134.63 137.17 43.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.542 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.409 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.9 tp -70.65 -28.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 122.275 1.036 . . . . 0.0 109.836 172.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.3 p -75.26 -17.03 60.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.997 -1.456 . . . . 0.0 108.919 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 30.3 t -84.44 82.22 8.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.061 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.3 p -176.06 -170.16 0.36 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.737 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.603 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -112.75 -167.71 17.23 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.858 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.846 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mtt180 -67.79 -44.61 76.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.537 0.684 . . . . 0.0 111.343 -171.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 29' ' ' LEU . 3.9 tt -52.0 -46.26 64.84 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.098 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.2 -32.36 72.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -175.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 49.4 mmtt -63.07 -33.87 76.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 144' ' ' LEU . 5.1 tp10 -72.72 -36.63 67.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.671 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -59.34 -38.18 79.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.767 173.164 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 42.6 mtt -57.34 -33.26 67.56 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.688 0.756 . . . . 0.0 109.82 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 59.3 mttt -71.18 -13.0 61.78 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.175 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.686 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -83.12 -14.34 53.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.881 0.848 . . . . 0.0 109.635 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' HG13 ' A' ' 65' ' ' ILE . 20.1 t70 -67.9 -38.92 83.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 172.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.7 t70 -76.6 -41.39 46.33 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.048 -2.342 . . . . 0.0 110.532 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -62.46 -31.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -72.96 -44.97 60.5 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.212 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 62' ' ' ASP . 48.2 mt -56.62 -35.32 44.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.694 0.759 . . . . 0.0 110.411 172.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -66.98 -44.71 79.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.794 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.6 OUTLIER -82.87 -69.73 0.61 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.687 -171.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.092 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 105.76 142.08 10.89 Favored Glycine 0 N--CA 1.43 -1.708 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.123 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.444 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.3 tp -58.46 -44.78 89.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 114.883 -0.658 . . . . 0.0 110.325 -174.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.33 -51.68 68.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 120.777 0.323 . . . . 0.0 111.459 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 1.5 mmpt? -63.85 -42.96 97.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.415 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 104' ' ' ILE . 31.3 mt -56.48 -47.16 82.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 177.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -53.26 -48.29 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.1 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.74 -39.64 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.596 0.712 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.826 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.0 OUTLIER -71.51 -52.51 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.387 -175.201 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.991 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.0 p -51.62 -52.6 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.751 0.786 . . . . 0.0 111.308 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' N ' HG13 ' A' ' 77' ' ' VAL . 39.0 mt-10 -60.75 -32.67 71.96 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.04 -1.437 . . . . 0.0 112.302 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -52.15 64.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.94 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.826 ' HE3' HG23 ' A' ' 76' ' ' ILE . 9.6 mmt -48.53 -30.74 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.388 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG21 ' A' ' 117' ' ' ILE . 20.2 m . . . . . 0 N--CA 1.44 -0.943 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.963 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.5 ' HA ' HD23 ' A' ' 98' ' ' LEU . 51.4 tt0 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.858 0.361 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.77 -46.54 81.41 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.461 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t -65.21 -34.51 78.55 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.319 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 95' ' ' GLN . 4.3 mm? -56.45 -42.01 77.44 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -73.56 -39.04 64.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.864 0.364 . . . . 0.0 111.914 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -56.89 -40.48 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.347 -174.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.616 ' HA ' HG22 ' A' ' 104' ' ' ILE . 5.3 m -66.95 -21.62 65.97 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.07 -52.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.712 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.63 -39.33 95.36 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.358 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.686 HD13 HG12 ' A' ' 73' ' ' ILE . 4.9 tp -59.96 -37.14 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.6 t -73.16 -28.57 62.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -72.55 -37.96 68.11 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.254 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -70.36 -30.13 66.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.601 0.715 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.991 ' HA ' HG23 ' A' ' 77' ' ' VAL . 31.7 mt -71.58 -50.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.151 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 t -63.74 -35.9 82.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.02 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.558 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.8 pt-20 -68.75 -39.05 80.49 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 122.165 -0.334 . . . . 0.0 111.82 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -56.65 -30.77 63.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.404 0.621 . . . . 0.0 111.053 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 117' ' ' ILE . 51.7 m0 -72.39 -19.31 61.63 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -71.21 -45.42 49.1 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.083 -0.579 . . . . 0.0 114.205 -169.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.524 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -57.19 -59.1 5.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.238 0.519 . . . . 0.0 111.878 -170.577 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HE2' HD11 ' A' ' 117' ' ' ILE . 19.8 pttm -109.61 22.08 16.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? 60.09 69.31 0.71 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.912 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.6 mt . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.731 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.801 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.2 ppp? . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 135' ' ' ASP . 1.5 p -142.29 165.8 26.44 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.97 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.946 ' HA ' HD13 ' A' ' 137' ' ' ILE . 2.0 p-10 -50.01 -27.46 5.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.909 171.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 133' ' ' THR . 8.4 t70 -69.64 -32.5 71.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.801 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -79.07 -28.01 43.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.256 -175.079 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.946 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.3 mp -54.06 -39.25 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.772 175.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.555 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.2 m-80 -67.04 -41.35 86.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.771 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.3 mp -61.16 -41.6 90.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.56 -51.81 60.91 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.845 -175.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.686 ' HA ' HD11 ' A' ' 20' ' ' ILE . 28.5 mm -51.52 -42.9 30.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.959 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.82 -49.33 66.13 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.651 -175.38 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 69.9 t80 -57.57 -47.22 82.68 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.942 0.877 . . . . 0.0 110.534 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.636 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 52.7 mt -66.1 -41.35 90.74 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.652 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.497 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.5 mt-10 -53.47 -25.3 15.8 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.017 0.823 . . . . 0.0 112.465 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 28.1 mmtp -48.66 -37.14 17.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.196 171.534 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.446 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.38 -10.44 7.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 122.198 0.999 . . . . 0.0 110.205 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.758 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -101.14 178.83 4.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.522 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.497 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.9 t-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.149 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.788 0 CA-C-O 120.593 0.235 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.79 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.92 138.47 24.4 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.508 178.589 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -107.46 -42.22 4.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.685 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -82.45 -0.84 48.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.122 -179.007 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -44.62 -62.49 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.009 168.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.578 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.9 t70 -100.47 20.85 14.15 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.553 0.692 . . . . 0.0 109.657 -174.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.685 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 18.0 t70 -53.5 -36.35 61.63 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.785 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 73.93 -21.8 0.26 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.824 174.135 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' C ' HD13 ' A' ' 148' ' ' LEU . 20.8 pttp -122.61 172.34 8.47 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.466 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.5 tp -76.22 133.77 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.513 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.21 -169.3 1.74 Allowed 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 121.7 0.762 . . . . 0.0 111.922 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.7 t -72.42 161.89 30.2 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.003 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 137' ' ' ILE . 46.1 mtm180 -56.3 -40.52 74.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.241 1.02 . . . . 0.0 109.112 168.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.07 -6.2 44.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.107 -1.406 . . . . 0.0 110.629 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.0 t -106.22 -13.84 15.3 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.43 -170.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 18.6 mm -89.22 -5.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.31 -54.89 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.584 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.3 m-20 -71.72 -28.15 63.49 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.985 -1.462 . . . . 0.0 108.577 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 25' ' ' SER . 24.2 tp -61.3 -46.27 90.99 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.169 -169.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 30' ' ' ILE . 1.5 mm -59.75 -28.99 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.79 -43.33 55.31 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.79 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.9 mm-40 -58.63 -51.46 69.81 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.929 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.16 -56.82 14.94 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 120.763 0.316 . . . . 0.0 111.109 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mm -51.54 -41.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.534 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 53.7 m -70.98 -36.59 72.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.737 176.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.6 t90 -67.82 -37.71 82.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.117 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.09 -23.17 61.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.193 0.52 . . . . 0.0 109.653 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.7 t-20 -86.53 -42.36 13.59 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -54.25 -32.85 57.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.529 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.963 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 17.2 t -70.92 -20.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 122.146 0.974 . . . . 0.0 109.835 -177.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.516 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.9 mm -95.64 -61.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 114.482 -1.236 . . . . 0.0 112.684 -174.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -52.28 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.277 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.8 m-85 -87.38 -9.21 55.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.848 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.5 t-20 54.84 49.33 18.08 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.969 -172.065 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.963 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 15.9 mtpt -67.7 -167.13 0.06 Allowed 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.663 175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 5.1 t0 -104.44 139.81 38.84 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.811 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.5 tp -71.81 -28.04 29.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.964 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.1 p -84.45 -12.74 53.79 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.939 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.587 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 30.8 t -76.0 81.7 2.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.163 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.644 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 34.9 t 175.33 -173.43 0.08 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.912 0.885 . . . . 0.0 109.014 175.099 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.652 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -88.94 -146.71 13.45 Favored Glycine 0 C--O 1.217 -0.963 0 CA-C-O 121.847 0.693 . . . . 0.0 114.724 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.785 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.4 mmt180 -84.45 -45.22 12.91 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 123.493 0.717 . . . . 0.0 111.516 171.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -49.08 -48.98 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.626 -170.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.77 -37.43 86.3 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -170.42 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 58.3 mmtt -45.13 -39.44 6.04 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.203 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 144' ' ' LEU . 11.2 tp10 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.33 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -58.18 -37.31 74.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.208 172.199 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.415 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 50.1 mtt -56.0 -32.54 64.05 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.841 0.829 . . . . 0.0 110.267 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 52.8 mttt -75.16 -9.23 58.35 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.852 -176.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.9 m-30 -86.34 -17.1 35.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.09 0.948 . . . . 0.0 109.156 172.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 9.5 t70 -69.34 -38.1 77.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 25.5 t70 -78.86 -39.74 34.44 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.127 -2.306 . . . . 0.0 110.377 -174.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -62.45 -33.41 59.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.719 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.05 61.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.315 -1.312 . . . . 0.0 111.105 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.7 mt -58.08 -35.57 53.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.704 0.764 . . . . 0.0 109.966 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -69.76 -37.56 76.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.473 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -89.61 -72.51 0.55 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.764 -172.312 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -67.58 -41.25 84.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.441 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 109.76 142.33 9.48 Favored Glycine 0 N--CA 1.427 -1.959 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.889 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.0 tp -56.34 -44.82 80.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 O-C-N 124.4 0.706 . . . . 0.0 109.777 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 12.4 t70 -56.68 -52.74 63.77 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.344 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.44 -42.9 99.8 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.425 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.793 HG12 HD13 ' A' ' 104' ' ' ILE . 36.5 mt -60.47 -46.31 95.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.663 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -53.08 -48.71 67.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.827 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 20.5 mt-10 -70.92 -34.69 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.805 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.838 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.46 -52.8 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.779 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.678 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.32 -51.14 51.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.726 0.774 . . . . 0.0 111.691 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 24.2 mt-10 -56.62 -40.6 75.64 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.078 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.67 73.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.838 ' HE3' HG23 ' A' ' 76' ' ' ILE . 10.2 mmt -48.54 -31.87 7.15 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 175.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.555 ' HB3' HG21 ' A' ' 117' ' ' ILE . 22.1 m . . . . . 0 N--CA 1.441 -0.88 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.882 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.529 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.6 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.07 0.462 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 38.4 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.662 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -72.7 -36.89 67.95 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' GLN . 82.2 mt -61.22 -51.89 67.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.56 -38.35 89.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.154 0.502 . . . . 0.0 110.706 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.09 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -65.84 -33.11 75.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -71.25 -53.91 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.397 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.634 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -64.81 -39.87 96.92 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.911 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.793 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.11 -37.47 68.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.56 -30.51 64.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.206 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.71 -38.57 73.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.286 0.234 . . . . 0.0 110.54 -175.634 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.06 -30.67 70.47 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.552 0.692 . . . . 0.0 110.333 -179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.678 ' HA ' HG23 ' A' ' 77' ' ' VAL . 38.4 mt -77.38 -51.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 106' ' ' ALA . 9.8 t -60.98 -38.82 87.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.811 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 14.5 pt-20 -70.95 -39.41 72.61 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.151 -0.343 . . . . 0.0 111.183 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -58.9 -28.01 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.22 0.533 . . . . 0.0 110.673 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.53 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 43.9 m0 -77.26 -20.95 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -63.67 -40.87 99.04 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 114.213 0.445 . . . . 0.0 114.213 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.516 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.1 m-85 -55.56 -57.07 13.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.306 0.553 . . . . 0.0 112.106 -169.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' A' ' 117' ' ' ILE . 60.0 pttt -111.45 18.56 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.68 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 59.8 59.55 2.46 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.65 0.738 . . . . 0.0 110.196 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 81' ' ' SER . 16.4 mt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.924 -172.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.778 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 137' ' ' ILE . 44.4 p -139.71 155.4 47.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.585 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.935 ' HA ' HD13 ' A' ' 137' ' ' ILE . 4.6 t70 -48.3 -32.66 7.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.443 0.639 . . . . 0.0 110.693 166.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.48 -33.26 75.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.341 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.778 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -79.14 -27.88 42.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.06 -174.679 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.935 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -57.1 -38.66 61.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.703 177.69 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.2 m-80 -65.38 -42.74 92.35 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.465 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.24 -42.09 93.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.18 -52.75 61.12 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.059 -176.702 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.58 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.9 mm -51.1 -43.46 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.934 175.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.18 -48.79 66.9 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.623 -175.657 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 57.1 t80 -57.66 -47.49 82.13 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.018 0.914 . . . . 0.0 110.351 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 57.7 mt -65.65 -41.71 92.23 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.639 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.443 ' HG3' HG12 ' A' ' 20' ' ' ILE . 12.9 mt-10 -53.7 -24.82 15.84 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.197 0.935 . . . . 0.0 112.639 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.633 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 18.8 mmmt -48.91 -40.74 31.1 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.353 170.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.633 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -114.71 -27.95 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.343 1.068 . . . . 0.0 109.762 178.785 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.677 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -84.42 176.24 8.8 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.228 -1.805 . . . . 0.0 110.015 178.055 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.587 ' HB2' HG21 ' A' ' 20' ' ' ILE . 52.9 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 119.005 -0.521 . . . . 0.0 109.939 -168.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.72 145.96 8.62 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.695 0.759 . . . . 0.0 112.642 176.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -107.76 -45.97 3.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.389 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -82.86 -3.82 57.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.965 -177.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 p -41.87 -49.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.055 173.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.624 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 37.3 t70 -114.84 19.82 15.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.867 0.867 . . . . 0.0 110.588 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.9 t70 -53.34 -35.35 60.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.293 -173.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.737 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER 73.09 -28.95 0.2 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.754 177.73 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' C ' HD13 ' A' ' 148' ' ' LEU . 54.5 pttt -113.69 171.53 7.52 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.45 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.6 tp -80.99 155.93 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.6 -168.15 1.73 Allowed 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 118.384 0.538 . . . . 0.0 110.097 -170.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -67.05 157.12 34.3 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.93 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' HG21 ' A' ' 137' ' ' ILE . 98.6 mtt180 -57.24 -37.72 72.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.09 0.947 . . . . 0.0 109.46 170.138 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.53 -2.36 31.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.194 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.5 t -103.31 -10.26 18.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.828 -173.158 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 mm -88.05 -7.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -70.78 -55.62 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 112.845 -1.979 . . . . 0.0 109.967 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.81 -36.27 70.21 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.084 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 53' ' ' LEU . 20.1 tp -50.7 -52.63 38.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 112.501 -2.136 . . . . 0.0 113.757 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.703 HG13 ' SD ' ' A' ' 132' ' ' MET . 2.5 mm -61.37 -28.76 44.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.307 0.575 . . . . 0.0 110.458 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.41 -44.14 46.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.259 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -58.41 -50.58 73.17 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 176.602 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -61.73 -58.0 9.72 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.946 0.403 . . . . 0.0 111.203 -169.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 109' ' ' THR . 43.3 mm -48.2 -42.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.695 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -69.31 -35.67 76.22 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.117 0.484 . . . . 0.0 110.751 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 64.9 t90 -67.22 -39.94 86.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.515 HH21 ' CD ' ' A' ' 110' ' ' GLU . 38.8 mmm-85 -54.55 -27.41 38.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.605 0.566 . . . . 0.0 110.333 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.1 t-20 -85.73 -44.4 12.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HA ' HG23 ' A' ' 42' ' ' VAL . 5.6 m-70 -54.46 -35.1 62.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.244 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.762 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 18.8 t -60.08 -30.95 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 121.754 0.787 . . . . 0.0 110.522 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 110' ' ' GLU . 27.1 mm -84.39 -62.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.31 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -47.98 -50.33 10.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.749 -178.194 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -90.67 -8.37 50.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.704 -175.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 54.78 52.27 12.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.19 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.762 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 96.2 mttt -76.22 -145.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.883 177.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 49' ' ' SER . 10.7 m-20 -134.85 134.47 40.81 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.147 0.498 . . . . 0.0 110.602 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tp -78.64 -31.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.681 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -75.79 -17.18 59.96 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.587 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -91.19 82.11 5.52 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 113.091 -1.868 . . . . 0.0 110.836 -175.429 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -165.94 -162.07 0.53 Allowed 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.342 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.624 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -99.88 -173.46 30.47 Favored Glycine 0 N--CA 1.429 -1.831 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.769 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.737 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 57.1 mtp180 -71.46 -42.55 68.02 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.738 0.78 . . . . 0.0 111.093 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.88 -43.07 59.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 113.608 -1.633 . . . . 0.0 110.409 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.8 m-30 -73.59 -40.47 63.84 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.991 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 24.5 mmtp -50.65 -33.95 24.43 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.868 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.659 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.7 tp10 -72.04 -40.7 68.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.51 -37.03 69.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 172.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 55' ' ' LYS . 50.8 mtt -57.41 -33.05 67.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.308 0.575 . . . . 0.0 110.292 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 59.5 mttt -70.27 -17.48 63.11 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.908 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -77.01 -15.57 59.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.728 0.775 . . . . 0.0 109.764 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.626 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.3 t70 -69.47 -39.53 77.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.5 t70 -78.9 -39.91 33.64 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.533 -2.121 . . . . 0.0 110.644 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.6 p -60.4 -35.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.438 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.13 63.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.929 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 62' ' ' ASP . 69.6 mt -56.62 -36.33 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.172 0.511 . . . . 0.0 111.041 172.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.3 ttt-85 -72.18 -48.11 45.7 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.424 0.63 . . . . 0.0 110.427 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -72.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.766 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.63 -39.53 57.67 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.099 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 108.47 144.07 10.8 Favored Glycine 0 N--CA 1.428 -1.853 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.059 174.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -56.47 -43.45 77.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 O-C-N 124.295 0.644 . . . . 0.0 109.568 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.522 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.9 t70 -56.54 -53.62 55.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.371 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.21 -44.1 92.96 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.409 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.791 HG12 HD13 ' A' ' 104' ' ' ILE . 37.0 mt -58.57 -46.46 90.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.214 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 23.3 mt-10 -72.67 -39.03 67.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.284 0.564 . . . . 0.0 110.543 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.9 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.1 mp -66.08 -52.58 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.873 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.937 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.6 p -51.63 -50.33 31.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 122.088 0.947 . . . . 0.0 111.117 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 77' ' ' VAL . 96.1 mt-10 -57.01 -41.95 79.45 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.486 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 -51.97 67.53 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.44 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.9 ' HE3' HG23 ' A' ' 76' ' ' ILE . 8.4 mmt -48.7 -28.75 3.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 111.063 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.505 ' HB3' ' CG2' ' A' ' 117' ' ' ILE . 30.7 m . . . . . 0 N--CA 1.437 -1.082 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.3 tt0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.79 -45.23 70.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.703 176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 m -70.04 -37.05 75.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 95' ' ' GLN . 85.7 mt -56.9 -54.59 44.79 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.615 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.3 m-30 -63.11 -40.96 99.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.76 69.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.938 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.32 -51.73 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.91 -40.72 97.43 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.899 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.791 HD13 HG12 ' A' ' 73' ' ' ILE . 5.5 tp -57.44 -44.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.529 ' HA ' HD12 ' A' ' 108' ' ' ILE . 95.7 m -72.02 -25.4 61.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.56 74.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.088 0.47 . . . . 0.0 110.281 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.541 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -71.6 -29.48 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.918 -177.612 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.937 ' HA ' HG23 ' A' ' 77' ' ' VAL . 43.7 mt -69.51 -50.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.205 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.673 HG21 HG23 ' A' ' 34' ' ' ILE . 15.4 t -66.39 -31.49 72.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.343 -174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.541 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 19.2 pt-20 -72.31 -45.44 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -55.59 -30.85 61.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 111.301 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.686 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.7 m0 -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -56.36 -49.73 66.85 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.302 0.481 . . . . 0.0 114.302 -172.54 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 41' ' ' ILE . 30.3 m-85 -59.98 -62.96 1.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.343 0.571 . . . . 0.0 112.513 -168.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' HG12 ' A' ' 117' ' ' ILE . 59.3 pttt -104.49 10.21 35.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.913 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? 59.38 75.64 0.39 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.57 0.7 . . . . 0.0 109.39 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.686 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.4 mt . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.429 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.703 ' SD ' HG13 ' A' ' 30' ' ' ILE . 22.0 ptm . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.122 0.487 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.3 p -106.96 -174.25 2.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.798 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -84.68 -28.2 26.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.47 -23.7 60.1 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 111.833 -2.44 . . . . 0.0 110.267 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.585 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 0.3 OUTLIER -75.41 -26.7 58.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -174.819 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.798 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -58.8 -39.78 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 CA-C-N 113.169 -1.832 . . . . 0.0 109.592 174.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.541 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.7 m-20 -70.49 -41.09 73.15 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.131 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.59 -39.83 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.751 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.43 -51.79 61.35 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.702 -178.037 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 20' ' ' ILE . 21.9 mm -50.6 -44.33 25.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 121.366 0.603 . . . . 0.0 109.81 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -68.26 -48.55 64.75 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.884 -174.293 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 61.0 t80 -57.94 -46.72 84.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.084 0.945 . . . . 0.0 110.446 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 41.3 mt -65.44 -44.23 87.97 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.84 -1.527 . . . . 0.0 110.281 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.6 mt-10 -52.96 -25.06 10.78 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.151 0.907 . . . . 0.0 112.688 -176.218 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.611 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 31.3 mmtt -49.02 -40.32 30.59 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.365 170.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.611 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -116.55 -15.54 10.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.116 0.96 . . . . 0.0 110.109 177.812 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.679 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.99 178.01 5.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.471 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.0 t-20 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 123.361 0.664 . . . . 0.0 110.42 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.616 0 CA-C-O 120.478 0.18 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.887 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.44 138.52 33.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 121.48 0.657 . . . . 0.0 112.558 174.173 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -102.35 -52.44 3.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.512 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.715 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -76.49 -0.99 25.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.18 -175.308 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG13 ' H ' ' A' ' 16' ' ' ASP . 2.6 p -43.61 -62.81 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.938 167.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.59 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.6 t70 -100.46 20.8 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.539 0.685 . . . . 0.0 110.199 -173.049 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.1 t0 -56.76 -36.76 70.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.858 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.69 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.4 t70 74.6 -26.04 0.2 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.296 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 17' ' ' ASP . 63.0 pttt -123.57 171.75 9.29 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.849 -174.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 7.1 tp -78.96 139.51 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.162 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -100.9 -169.66 1.74 Allowed 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 121.399 0.619 . . . . 0.0 111.505 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -72.88 164.89 25.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.798 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' HG21 ' A' ' 137' ' ' ILE . 25.9 mtm180 -55.37 -42.3 73.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.08 0.943 . . . . 0.0 109.342 168.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.88 -7.95 44.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.785 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 23.1 t -101.54 -16.38 16.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.993 -171.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.751 ' HB ' HG13 ' A' ' 137' ' ' ILE . 22.1 mm -85.76 -8.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' CD1' ' A' ' 137' ' ' ILE . 39.8 mm -68.32 -55.94 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 112.969 -1.923 . . . . 0.0 109.348 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 m-20 -72.66 -28.76 62.92 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 113.859 -1.519 . . . . 0.0 108.972 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 53' ' ' LEU . 23.5 tp -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 112.735 -2.029 . . . . 0.0 112.098 -170.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.64 HG13 ' HG2' ' A' ' 132' ' ' MET . 2.7 mm -61.46 -31.38 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.683 -177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.36 -42.22 62.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.887 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.1 mm-40 -58.38 -51.86 68.05 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.383 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 57' ' ' LEU . 69.6 t80 -64.72 -56.73 11.86 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.322 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.6 mm -51.29 -40.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.786 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 59.9 m -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.914 0.388 . . . . 0.0 110.748 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . 91.0 t90 -67.09 -37.45 83.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 0.0 110.55 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.627 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -57.77 -23.07 50.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.288 0.566 . . . . 0.0 110.055 173.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.0 t-20 -86.61 -46.36 10.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.558 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 6.2 m-70 -52.12 -40.0 60.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.964 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 6.5 t -59.49 -24.9 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.569 0.7 . . . . 0.0 110.987 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 110' ' ' GLU . 22.1 mm -92.25 -66.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.85 -175.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -49.35 68.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.196 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.1 m-85 -88.03 -4.19 58.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.196 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 65.2 t30 52.14 43.47 30.51 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.387 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 14.4 mtpp -68.13 -166.56 0.07 Allowed 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.707 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 6.6 t0 -105.26 140.13 38.87 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.496 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -72.61 -26.72 24.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.441 173.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -88.36 -10.48 49.23 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.941 0.877 . . . . 0.0 109.187 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.0 t -72.88 82.25 1.19 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.186 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.712 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 36.6 t 172.47 -171.82 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.836 0.854 . . . . 0.0 109.324 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.646 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -90.56 -143.52 11.0 Favored Glycine 0 N--CA 1.468 0.833 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -171.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.69 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 14.1 mtt180 -83.57 -50.29 8.38 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.341 1.067 . . . . 0.0 112.451 170.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -48.67 -44.76 38.07 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.935 -167.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -65.89 -37.29 85.71 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -172.124 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 57.7 mmtt -45.42 -37.74 5.39 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.39 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG2' HD23 ' A' ' 144' ' ' LEU . 4.1 tp10 -74.91 -36.85 62.18 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 121.087 0.47 . . . . 0.0 110.425 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -57.33 -37.01 71.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.847 172.478 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtt -55.21 -35.03 64.44 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.514 0.674 . . . . 0.0 110.137 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -71.05 -12.89 61.77 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.619 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.601 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.7 m-30 -80.27 -17.01 53.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.057 0.932 . . . . 0.0 109.214 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.4 t70 -69.61 -42.3 74.58 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.484 172.033 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.808 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.4 t70 -75.82 -41.4 52.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 112.301 -2.227 . . . . 0.0 110.521 -173.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -61.19 -34.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.808 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.16 -40.51 64.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.014 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 62' ' ' ASP . 51.8 mt -58.41 -34.96 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 110.327 172.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.25 -46.12 61.72 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.33 0.586 . . . . 0.0 110.609 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -76.43 -71.38 0.39 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.158 -172.861 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.88 -36.78 70.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.29 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.59 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.91 140.17 11.24 Favored Glycine 0 N--CA 1.431 -1.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.062 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.1 tp -56.21 -43.88 77.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.671 -0.764 . . . . 0.0 109.892 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -59.06 -50.83 72.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.332 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -61.21 -46.12 91.74 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 177.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 104' ' ' ILE . 46.0 mt -57.66 -47.38 85.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.603 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.47 -43.34 68.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.015 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -70.06 -37.02 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.29 0.567 . . . . 0.0 110.756 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.733 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.99 -52.99 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.769 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.1 p -52.73 -49.86 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.809 0.814 . . . . 0.0 111.471 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' SER . 9.7 mt-10 -61.41 -31.13 71.05 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.81 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.4 72.52 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.981 0.42 . . . . 0.0 110.135 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.733 ' HE3' HG23 ' A' ' 76' ' ' ILE . 8.2 mmt -53.69 -27.29 26.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.606 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 46.4 t . . . . . 0 N--CA 1.446 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.287 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 98' ' ' LEU . 61.5 tt0 . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.556 0.693 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.0 tt0 -61.65 -32.22 72.38 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.134 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.5 t -79.99 -35.42 37.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.628 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 95' ' ' GLN . 83.9 mt -53.98 -58.15 8.39 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.08 -41.34 98.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.51 -32.88 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 m -65.32 -32.65 74.42 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.722 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.65 -55.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.668 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.57 -38.31 94.56 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.814 -0.707 . . . . 0.0 114.062 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.768 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -60.47 -35.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.21 -31.1 63.97 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.352 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.627 ' HB1' ' HD3' ' A' ' 37' ' ' ARG . . . -71.21 -33.76 70.2 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' LYS . 13.2 tptt -62.48 -31.03 71.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.751 0.786 . . . . 0.0 110.531 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HG3' ' A' ' 80' ' ' MET . 31.0 mt -77.53 -48.51 24.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.174 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 106' ' ' ALA . 11.2 t -60.76 -38.1 84.06 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.103 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 41' ' ' ILE . 11.3 pt-20 -72.03 -45.23 61.63 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.123 -0.361 . . . . 0.0 111.663 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 22.8 t-80 -58.05 -27.38 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 111.413 -173.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.444 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 44.0 m0 -76.94 -21.19 55.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.389 -174.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.51 61.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 114.971 0.748 . . . . 0.0 114.971 -167.709 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' CE1' HG23 ' A' ' 41' ' ' ILE . 16.8 m-85 -53.85 -53.16 56.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.006 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -110.87 10.35 22.42 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.969 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 57.69 73.57 0.46 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.671 0.748 . . . . 0.0 111.037 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.444 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 16.8 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.053 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.793 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 137' ' ' ILE . 30.3 p -129.76 152.92 48.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.542 -169.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.995 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.8 t70 -49.96 -27.15 4.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.991 167.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -71.66 -31.84 67.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.458 177.244 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.793 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -77.81 -28.96 50.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -175.149 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.995 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.1 mp -54.84 -40.12 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.55 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 24.7 m-80 -65.93 -41.94 90.71 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.565 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.9 mp -63.38 -42.62 96.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.46 -51.55 62.48 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.057 -176.537 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.561 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.2 mm -50.68 -45.71 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.27 -50.09 61.75 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.161 -175.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.474 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 61.8 t80 -57.19 -47.24 81.75 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 121.974 0.892 . . . . 0.0 110.243 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 59.1 mt -65.98 -44.29 85.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.505 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' ILE . 21.5 mt-10 -53.17 -24.27 10.38 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.005 0.815 . . . . 0.0 112.84 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 28.1 mmtp -49.34 -38.63 28.68 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.462 170.083 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.26 -12.97 7.78 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.057 0.932 . . . . 0.0 110.177 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -99.72 177.03 5.26 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.349 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.62 ' HA ' HG22 ' A' ' 20' ' ' ILE . 10.8 t-20 . . . . . 0 C--O 1.25 1.129 0 O-C-N 125.416 1.697 . . . . 0.0 109.245 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.44 -0.952 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.643 ' CE1' ' HD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -51.0 150.56 2.99 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.84 0.829 . . . . 0.0 112.912 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -108.55 -52.34 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.487 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.655 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.24 -0.42 32.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.104 -177.605 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -47.16 -60.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.564 0.697 . . . . 0.0 109.649 168.295 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.509 ' H ' HG13 ' A' ' 15' ' ' VAL . 12.6 t70 -102.29 19.12 19.35 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.134 -171.587 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.655 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 23.2 t70 -53.42 -35.67 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.156 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.73 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 16.1 t70 75.82 -20.13 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.908 174.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' C ' HD13 ' A' ' 148' ' ' LEU . 16.1 ptpt -131.13 172.84 11.65 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.14 0.495 . . . . 0.0 111.623 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.734 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.7 tp -75.32 134.03 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -99.31 -167.94 1.55 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 121.545 0.688 . . . . 0.0 112.078 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -70.15 161.9 29.34 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.187 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 137' ' ' ILE . 99.0 mtt180 -54.63 -41.61 70.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.948 0.88 . . . . 0.0 109.413 168.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.75 -6.38 46.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.458 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.3 t -103.82 -12.35 16.98 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.102 -171.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.591 HG23 HD23 ' A' ' 29' ' ' LEU . 21.3 mm -89.07 -6.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.71 -56.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.098 -1.865 . . . . 0.0 109.637 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.94 -32.64 63.6 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 53' ' ' LEU . 23.6 tp -49.3 -49.52 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 112.765 -2.016 . . . . 0.0 113.432 -176.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 30' ' ' ILE . 2.3 mm -60.25 -30.5 46.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.17 0.509 . . . . 0.0 110.736 -177.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.81 -44.91 54.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.7 -50.78 72.61 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 54' ' ' TYR . 75.6 t80 -63.02 -57.32 11.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.851 -175.728 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG23 HG21 ' A' ' 109' ' ' THR . 36.0 mm -49.52 -47.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.238 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 63.5 m -65.12 -35.64 81.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.094 0.473 . . . . 0.0 110.816 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.7 t90 -67.67 -38.65 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.769 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -54.88 -30.17 57.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.404 0.621 . . . . 0.0 109.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 23.1 t-20 -82.47 -45.21 15.04 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.62 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.5 -42.3 61.59 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.081 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.932 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 12.2 t -56.52 -30.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.712 0.767 . . . . 0.0 110.15 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.531 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.3 mm -86.67 -66.95 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.486 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -49.7 -53.0 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.898 -178.392 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -85.81 -5.0 59.31 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.14 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.4 t30 57.52 45.0 20.22 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.56 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.932 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 54.9 mtpt -79.29 -158.92 0.17 Allowed 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.133 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 18.2 m-20 -121.74 132.22 54.5 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.362 -177.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.527 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.6 tp -70.86 -27.55 30.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.286 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -80.64 -11.13 59.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.375 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -93.24 82.47 4.52 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.088 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 14.2 t -177.94 -169.57 0.21 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.712 175.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.605 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -89.24 -150.98 23.6 Favored Glycine 0 C--O 1.213 -1.212 0 CA-C-O 121.737 0.632 . . . . 0.0 114.564 -170.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.73 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 43.7 mtt180 -85.09 -44.99 12.5 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.831 0.824 . . . . 0.0 112.05 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -49.86 -46.35 51.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.491 -171.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.674 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -67.47 -37.05 82.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.57 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HE2' ' HE1' ' A' ' 54' ' ' TYR . 40.0 mmtt -46.54 -34.63 5.04 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.473 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.6 tp10 -73.96 -38.72 64.11 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.412 0.625 . . . . 0.0 110.459 -176.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.2 mm? -56.98 -36.38 70.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.287 172.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.469 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 53.2 mtt -55.55 -33.0 63.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.522 0.677 . . . . 0.0 110.428 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 58.5 mttt -72.5 -14.32 61.63 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.1 m-30 -81.78 -17.06 48.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.111 0.957 . . . . 0.0 109.041 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 65' ' ' ILE . 11.9 t70 -69.85 -42.18 73.88 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.182 -1.372 . . . . 0.0 107.617 172.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.792 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.2 t70 -75.67 -41.41 53.99 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 112.536 -2.12 . . . . 0.0 110.612 -174.024 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -60.28 -33.85 55.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.686 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.23 -42.73 62.25 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.975 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.1 mt -58.09 -35.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.491 0.663 . . . . 0.0 110.421 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -67.88 -43.85 78.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.764 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -68.4 0.76 Allowed 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.206 -168.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -71.24 -34.4 70.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.55 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.26 138.03 10.11 Favored Glycine 0 N--CA 1.435 -1.431 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.379 175.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.64 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -59.24 -42.94 88.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.749 -0.725 . . . . 0.0 110.477 -174.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 19.7 t70 -56.9 -52.11 66.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.015 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -64.36 -43.07 95.67 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.222 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 104' ' ' ILE . 34.3 mt -57.0 -47.92 82.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.653 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.15 -45.66 72.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.99 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 45.5 mt-10 -70.06 -35.78 74.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.729 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.705 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -71.05 -53.17 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.689 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.697 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.65 -52.75 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.545 0.688 . . . . 0.0 111.328 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 77' ' ' VAL . 26.7 mt-10 -61.35 -34.57 75.51 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.495 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.82 76.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.707 0.289 . . . . 0.0 110.743 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.705 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.4 mmt -46.08 -34.14 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.018 173.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.601 ' HB3' HG21 ' A' ' 117' ' ' ILE . 15.8 m . . . . . 0 N--CA 1.439 -0.984 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.024 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.9 tt0 . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.98 -37.75 74.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.953 0.406 . . . . 0.0 111.246 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.2 t -80.89 -30.22 35.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 101' ' ' THR . 77.6 mt -60.26 -46.51 89.55 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.312 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' PHE . 10.2 m-30 -66.93 -40.62 87.64 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.94 0.4 . . . . 0.0 111.451 173.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.539 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -36.07 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.411 -175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 98' ' ' LEU . 7.3 t -71.32 -22.15 61.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.939 -175.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.34 -52.86 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.15 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.81 -37.75 93.69 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.458 -175.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 73' ' ' ILE . 6.1 tp -59.43 -41.9 85.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.197 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.736 ' HA ' HD12 ' A' ' 108' ' ' ILE . 54.2 m -72.73 -24.89 61.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.394 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.42 77.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.561 0.22 . . . . 0.0 111.14 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 73' ' ' ILE . 60.8 mttm -69.37 -30.08 68.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.423 0.63 . . . . 0.0 110.722 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 105' ' ' CYS . 60.7 mt -69.73 -50.13 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.281 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG23 ' A' ' 34' ' ' ILE . 8.8 t -63.61 -34.41 77.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.674 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 41' ' ' ILE . 24.4 pt-20 -79.65 -39.01 32.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.41 -35.11 62.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.171 0.51 . . . . 0.0 110.734 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.3 m0 -70.46 -19.83 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -50.28 -58.28 9.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -167.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.412 ' CE2' HG23 ' A' ' 41' ' ' ILE . 45.9 m-85 -54.92 -48.64 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -165.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' CG ' HG12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -111.23 4.97 19.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.089 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm 56.78 69.49 0.74 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.723 0.773 . . . . 0.0 109.894 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 81' ' ' SER . 11.1 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.82 -172.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.572 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.5 ppp? . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.661 ' O ' HD12 ' A' ' 137' ' ' ILE . 15.5 p -126.83 158.61 36.21 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.843 -167.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 137' ' ' ILE . 7.3 t70 -48.42 -32.88 8.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.191 168.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.47 -27.15 63.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.572 0.701 . . . . 0.0 109.408 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 139' ' ' ILE . 12.6 t-20 -79.56 -30.81 41.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.12 -177.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -59.03 -37.93 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.134 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.502 ' O ' HD13 ' A' ' 142' ' ' LEU . 19.3 m-80 -64.27 -43.35 95.09 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.484 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.5 mt -63.27 -41.32 92.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.84 0.829 . . . . 0.0 109.137 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.803 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.02 -53.85 49.76 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.918 -177.837 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.598 ' HA ' HD11 ' A' ' 20' ' ' ILE . 20.0 mm -50.18 -43.87 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 176.098 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -66.92 -49.84 64.27 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.838 -175.451 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.89 -48.21 78.69 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.879 0.847 . . . . 0.0 110.359 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 27.7 mt -64.84 -43.14 94.04 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.078 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 32.5 mt-10 -53.63 -25.93 19.88 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.542 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 35.8 mttp -51.75 -38.99 57.7 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.805 172.758 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.509 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -118.13 -17.58 9.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.376 1.084 . . . . 0.0 109.602 -176.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.734 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.8 179.04 5.73 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.778 175.162 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 123.915 0.759 . . . . 0.0 110.189 -166.844 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.487 0 CA-C-O 120.734 0.302 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.611 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.88 145.86 9.2 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.96 0.885 . . . . 0.0 113.036 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -101.7 -53.08 3.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.262 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -81.79 -2.29 50.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.388 -175.049 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.5 p -42.48 -48.69 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 172.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 31.1 t70 -115.54 19.51 15.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.833 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.738 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 21.9 t70 -53.59 -33.94 56.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.874 -173.047 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.699 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.0 t70 72.7 -27.43 0.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.236 177.079 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.6 pttp -115.74 172.51 7.08 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.524 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.699 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 8.2 tp -82.27 139.28 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.403 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 4.8 m -102.67 -169.14 1.62 Allowed 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 121.532 0.682 . . . . 0.0 111.751 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -69.39 161.34 29.6 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.555 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 23' ' ' ARG . 51.7 mtp180 -53.96 -41.75 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.05 0.929 . . . . 0.0 109.342 167.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.26 -4.89 38.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.785 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.2 t -97.99 -21.84 16.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.569 HD13 HD22 ' A' ' 29' ' ' LEU . 28.0 mm -75.62 -11.74 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 122.603 1.192 . . . . 0.0 108.189 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.98 -55.9 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.021 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.4 -33.45 65.0 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.508 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 53' ' ' LEU . 25.7 tp -50.99 -51.46 52.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.668 -2.06 . . . . 0.0 113.221 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.541 HG13 ' HG2' ' A' ' 132' ' ' MET . 7.1 mm -60.84 -34.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.287 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.25 -44.87 71.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.596 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.5 mm-40 -58.25 -51.82 68.17 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.621 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.542 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 69.6 t80 -61.5 -55.26 32.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.059 0.457 . . . . 0.0 110.454 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.17 -24.82 18.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.386 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 57.8 m -81.61 -38.54 25.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.053 -1.029 . . . . 0.0 110.896 170.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' HD1' ' CE1' ' A' ' 12' ' ' PHE . 71.3 t90 -66.13 -53.48 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.698 ' NH2' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.61 3.68 9.09 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.466 -176.354 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.698 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 22.5 t-20 -85.75 -47.23 9.95 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.771 165.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' HA ' HG23 ' A' ' 42' ' ' VAL . 9.8 m170 -55.15 -31.89 61.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.744 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 14.5 t -60.34 -24.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.659 0.742 . . . . 0.0 110.078 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.2 mm -92.15 -64.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.998 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.525 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.79 -48.86 37.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.957 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.9 m-85 -90.38 -8.65 50.13 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.444 -176.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.0 t-20 49.7 53.08 13.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.318 -173.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 7.4 mtpm? -76.56 -150.12 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.346 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 9.2 m-20 -125.54 135.36 52.17 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.729 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.3 tp -71.47 -29.04 33.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 122.051 0.929 . . . . 0.0 110.757 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.3 p -75.81 -17.13 59.97 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.034 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.574 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 30.6 t -84.25 82.99 8.13 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.076 -1.875 . . . . 0.0 110.348 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.0 p -174.16 -166.06 0.26 Allowed 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.206 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -108.24 -164.18 21.09 Favored Glycine 0 N--CA 1.44 -1.084 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.829 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.699 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 51.7 mtt180 -73.85 -45.72 49.32 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.334 0.588 . . . . 0.0 112.102 -173.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 29' ' ' LEU . 5.7 tt -50.65 -42.08 56.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.124 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.4 m-30 -69.45 -31.12 69.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -173.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 60.1 mmtt -58.2 -35.66 71.95 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 123.383 0.427 . . . . 0.0 110.115 -176.387 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HG3' ' HE2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -72.0 -37.06 69.88 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.018 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -58.82 -38.12 77.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 174.243 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 44.3 mtt -58.01 -32.37 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.298 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 56.2 mttt -74.68 -13.2 60.59 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.476 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.4 m-30 -77.64 -14.8 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.213 1.006 . . . . 0.0 109.324 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 58' ' ' MET . 16.5 t70 -68.55 -46.35 69.71 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.094 -1.412 . . . . 0.0 108.346 169.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.696 ' HA ' HD12 ' A' ' 65' ' ' ILE . 19.5 t70 -70.32 -42.57 71.77 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 112.063 -2.335 . . . . 0.0 110.361 -173.193 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -62.52 -34.71 66.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.193 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.53 65.52 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.234 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 62' ' ' ASP . 45.0 mt -59.47 -35.72 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.765 0.793 . . . . 0.0 110.048 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 27.5 tpt180 -65.18 -48.93 71.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.549 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.471 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -79.33 -72.2 0.4 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.769 -170.366 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.39 -38.34 71.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.742 -175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 110.71 141.12 8.67 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 174.066 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -59.46 -45.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.861 -0.669 . . . . 0.0 110.136 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 27.1 t70 -59.57 -51.48 69.65 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.3 OUTLIER -58.53 -46.48 86.69 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.428 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.744 HG12 HD13 ' A' ' 104' ' ' ILE . 45.2 mt -60.18 -46.47 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.779 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -54.36 -48.67 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.409 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.9 mt-10 -64.14 -45.03 90.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.851 0.834 . . . . 0.0 109.749 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.912 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -67.92 -52.5 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.205 0 CA-C-N 113.891 -1.504 . . . . 0.0 112.838 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 1.025 HG23 ' HA ' ' A' ' 108' ' ' ILE . 6.4 p -52.77 -54.22 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.567 0.698 . . . . 0.0 111.904 -175.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 77' ' ' VAL . 49.3 mt-10 -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.308 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.87 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.912 ' HE2' HG23 ' A' ' 76' ' ' ILE . 10.3 mmt -50.5 -24.89 3.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 121.292 0.568 . . . . 0.0 110.512 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 98' ' ' LEU . 58.0 tt0 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.4 tt0 -56.34 -42.1 77.16 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 111.162 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.1 t -78.43 -29.15 46.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 95' ' ' GLN . 90.7 mt -61.83 -49.96 74.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.433 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -64.2 -41.22 97.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.104 0.478 . . . . 0.0 110.754 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.37 -31.0 65.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.755 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.3 m -66.69 -33.05 74.78 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.079 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -69.77 -52.4 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -67.06 -40.71 93.12 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.773 -0.727 . . . . 0.0 114.132 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 73' ' ' ILE . 6.0 tp -58.51 -43.78 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.652 ' O ' HG22 ' A' ' 109' ' ' THR . 77.2 m -72.43 -25.34 61.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.832 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -68.67 -52.48 30.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 15.0 tptt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.442 0.639 . . . . 0.0 110.274 -170.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.025 ' HA ' HG23 ' A' ' 77' ' ' VAL . 23.7 mt -67.87 -54.82 19.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.884 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 105' ' ' CYS . 0.6 OUTLIER -69.44 -26.18 64.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -174.103 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.1 pt-20 -78.9 -34.09 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.772 -0.58 . . . . 0.0 111.82 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.55 -27.39 57.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.474 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.493 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 47.2 m0 -70.14 -19.51 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.362 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.48 98.93 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 121.314 -0.469 . . . . 0.0 114.059 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.4 m-85 -55.55 -60.21 3.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -110.79 11.39 22.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.895 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 61.91 74.56 0.44 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.829 0.823 . . . . 0.0 110.374 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.999 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.559 ' CE ' HG13 ' A' ' 137' ' ' ILE . 4.4 ppp? . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.7 p -92.76 -176.11 4.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.725 -168.566 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.731 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -81.91 -37.34 26.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 -175.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.57 -22.42 60.99 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 111.613 -2.539 . . . . 0.0 109.683 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 36.6 t30 -76.96 -26.15 53.63 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mt -58.52 -42.76 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.596 173.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 142' ' ' LEU . 35.4 m-80 -73.85 -38.49 64.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.717 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.93 -40.07 85.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.706 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.36 -52.26 62.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.805 -177.495 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.3 mm -51.22 -45.17 31.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.253 0.549 . . . . 0.0 109.759 175.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.05 -47.58 70.88 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.655 -175.091 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 143' ' ' PHE . . . . . 0.559 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 62.9 t80 -56.61 -47.74 78.97 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 122.131 0.967 . . . . 0.0 110.402 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.5 mt -68.22 -42.66 79.48 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.251 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.637 ' HG3' HG12 ' A' ' 20' ' ' ILE . 16.4 mt-10 -53.87 -24.8 17.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 123.904 0.752 . . . . 0.0 112.37 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 29.2 mmtp -48.02 -43.03 29.72 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.034 171.382 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 1.3 mttt -115.97 -11.62 11.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.154 0.978 . . . . 0.0 109.987 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.699 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -96.59 -179.98 4.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.712 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.248 0.996 0 O-C-N 124.197 0.935 . . . . 0.0 110.087 -172.716 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 120.542 0.21 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.53 149.13 6.12 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.17 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.0 -53.11 2.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.403 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -70.65 -6.92 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.761 -177.07 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.8 p -45.06 -47.12 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.052 169.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . 0.628 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.0 t70 -116.31 18.74 15.14 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.756 -175.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.2 t0 -53.96 -36.0 62.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.37 -172.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.773 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.7 t70 73.06 -29.41 0.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.424 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.2 ptmt -119.67 170.88 8.8 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.833 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.5 tp -84.64 137.8 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.718 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -115.15 -163.19 0.86 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 121.502 0.668 . . . . 0.0 111.968 -178.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -67.27 159.6 28.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.272 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 137' ' ' ILE . 70.7 mtm180 -55.02 -39.43 69.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.001 0.905 . . . . 0.0 109.449 167.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.34 -8.32 49.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.324 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.9 t -100.82 -11.3 19.95 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.38 -172.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.547 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 18.9 mm -92.05 -9.35 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.62 -54.87 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.597 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 4.4 t70 -71.01 -27.82 63.96 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 113.622 -1.627 . . . . 0.0 108.396 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.642 ' HB2' ' O ' ' A' ' 25' ' ' SER . 22.2 tp -64.09 -49.36 72.55 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 111.955 -2.384 . . . . 0.0 111.861 -171.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 30' ' ' ILE . 2.9 mm -59.75 -28.14 39.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.501 0.667 . . . . 0.0 109.932 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.64 -44.94 40.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.79 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -59.41 -50.35 74.29 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 174.261 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 87.4 t80 -64.58 -58.14 7.16 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -166.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 HG21 ' A' ' 109' ' ' THR . 41.3 mm -51.78 -42.91 33.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.273 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -67.16 -33.85 76.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.75 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.0 t90 -68.32 -43.66 77.1 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.619 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 15.8 mmm180 -52.31 -45.65 65.67 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.5 t-20 -60.67 -49.5 77.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.949 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.1 -37.25 44.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.396 -179.283 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 15.7 t -67.02 -25.44 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.684 0.754 . . . . 0.0 110.75 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' ARG . 20.8 mm -89.02 -62.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.569 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.72 -48.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.02 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.0 m-85 -86.42 -9.16 56.85 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.075 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.7 t-20 48.65 55.81 8.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.067 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 53.9 mtpt -80.73 -143.14 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.186 -1.37 . . . . 0.0 108.758 176.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.47 135.93 42.83 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.344 0.593 . . . . 0.0 110.672 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.455 HD11 ' SD ' ' A' ' 58' ' ' MET . 1.5 tp -74.99 -31.68 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.713 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -74.2 -19.65 60.46 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.274 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -83.87 82.01 8.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 113.014 -1.903 . . . . 0.0 109.81 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.0 p -170.88 -168.76 0.7 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.253 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.628 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -109.92 -173.02 20.51 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.736 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ARG . . . . . 0.773 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 12.4 mtt180 -70.31 -42.09 72.45 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.609 0.719 . . . . 0.0 111.57 -170.771 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.43 -49.96 60.66 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.982 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.743 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.3 m-30 -60.27 -42.23 94.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 53.5 mmtt -48.28 -39.17 20.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.676 ' HG3' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.58 -34.79 70.23 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.439 -177.729 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.806 0.336 . . . . 0.0 111.433 172.557 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.544 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 31.4 mtt -62.8 -45.38 92.9 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 84.4 mttt -48.07 -16.44 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.611 -1.632 . . . . 0.0 113.855 171.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.676 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.0 m-30 -85.23 -18.9 32.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.844 0.83 . . . . 0.0 109.99 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.613 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 38.3 t70 -70.92 -38.38 72.94 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 65' ' ' ILE . 23.5 t70 -74.68 -41.1 60.89 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 112.145 -2.298 . . . . 0.0 109.99 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -64.48 -33.1 60.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.723 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.68 -45.47 58.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.874 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.67 HG23 ' HB ' ' A' ' 70' ' ' ILE . 60.7 mt -55.62 -35.64 39.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 171.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -68.58 -44.11 75.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.626 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.2 OUTLIER -83.74 -69.87 0.61 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.641 -171.844 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.67 -38.71 73.8 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.836 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.91 138.57 8.37 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.053 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.4 tp -58.37 -44.68 89.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.898 -0.651 . . . . 0.0 109.825 -176.314 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.71 -51.77 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.498 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -60.73 -45.81 92.84 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.323 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 104' ' ' ILE . 40.2 mt -57.98 -46.8 87.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.803 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -54.04 -48.34 70.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.371 0.605 . . . . 0.0 110.808 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.37 -41.91 98.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.136 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.706 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -73.48 -52.88 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.91 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.966 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.4 p -52.02 -50.83 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.054 0.931 . . . . 0.0 111.869 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 77' ' ' VAL . 43.0 mt-10 -62.67 -34.52 77.27 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.022 -1.444 . . . . 0.0 112.384 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.48 -37.34 84.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.275 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' MET . . . . . 0.706 ' HE3' HG23 ' A' ' 76' ' ' ILE . 17.6 mmt -49.52 -14.03 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 172.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 121.617 0.722 . . . . 0.0 109.543 176.358 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.85 -42.18 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.876 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 10.1 t -78.89 -31.91 45.63 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.3 -51.77 65.62 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.513 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.5 m-30 -63.12 -40.73 98.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.142 0.496 . . . . 0.0 111.206 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.2 -38.24 73.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.035 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.7 m -59.84 -34.14 72.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.587 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -70.12 -52.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.23 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . 0.613 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.39 -42.46 95.96 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.844 -0.693 . . . . 0.0 114.068 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 73' ' ' ILE . 4.8 tp -56.54 -46.81 82.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 109.964 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HA ' HD12 ' A' ' 108' ' ' ILE . 73.4 m -71.75 -25.25 61.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.32 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.23 -41.23 73.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.069 0.461 . . . . 0.0 110.085 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.36 75.79 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.064 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.966 ' HA ' HG23 ' A' ' 77' ' ' VAL . 37.4 mt -66.35 -52.99 40.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.847 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.727 HG21 HG23 ' A' ' 34' ' ' ILE . 10.9 t -66.03 -31.82 72.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.021 -173.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.619 ' HB3' ' HB3' ' A' ' 37' ' ' ARG . 8.9 pt-20 -75.24 -46.59 32.81 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 122.217 -0.302 . . . . 0.0 111.805 -176.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -53.47 -35.56 60.68 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.981 0.42 . . . . 0.0 111.629 -172.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' TRP . . . . . 0.516 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 51.9 m0 -58.32 -18.92 30.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -69.58 -36.2 76.01 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.212 -0.518 . . . . 0.0 114.084 -168.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CE1' HG23 ' A' ' 41' ' ' ILE . 26.9 m-85 -58.53 -61.7 2.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.406 0.603 . . . . 0.0 111.644 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -111.5 14.99 21.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.9 mttm 64.24 71.83 0.47 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.596 0.56 . . . . 0.0 111.05 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.7 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' MET . . . . . 0.573 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 137' ' ' ILE . 18.0 p -132.81 154.71 50.03 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.272 -170.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ASP . . . . . 0.958 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.8 OUTLIER -50.88 -27.66 7.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 170.488 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.62 -30.38 65.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.471 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . 0.573 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -78.14 -28.89 48.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -176.764 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -58.06 -37.4 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.821 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 142' ' ' LEU . 26.3 m-80 -62.24 -44.91 95.49 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.487 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.92 -42.05 93.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.718 0.771 . . . . 0.0 108.955 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 140' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.6 -53.85 48.45 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.397 -176.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.618 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.2 mm -50.95 -44.92 28.18 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-O 121.274 0.559 . . . . 0.0 109.808 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -66.34 -48.65 69.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.864 -176.594 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -56.4 -46.67 80.05 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 122.052 0.929 . . . . 0.0 110.438 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' LEU . . . . . 0.75 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 50.7 mt -67.68 -43.41 80.22 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.36 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 20' ' ' ILE . 14.6 mt-10 -52.55 -23.96 7.31 Favored 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 124.063 0.852 . . . . 0.0 112.795 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' LYS . . . . . 0.613 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 72.5 mmtt -48.5 -39.39 23.0 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.021 172.384 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' LYS . . . . . 0.613 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -119.47 -29.3 5.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 122.448 1.118 . . . . 0.0 109.789 178.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 148' ' ' LEU . . . . . 0.756 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.45 177.33 6.04 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 113.109 -1.86 . . . . 0.0 109.69 172.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 20' ' ' ILE . 51.7 t30 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.02 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.957 0.408 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.12 117.11 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m -101.58 94.5 5.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.471 . . . . 0.0 109.819 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' HE2' ' OD1' ' A' ' 44' ' ' ASN . 17.7 ttpp -165.5 126.71 1.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.197 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.16 141.23 58.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.667 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -78.74 92.43 4.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.905 0.859 . . . . 0.0 109.354 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.691 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 96.2 m-85 -75.02 153.86 38.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.777 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 1.018 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 37.3 mt-10 -134.44 -71.42 0.49 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.025 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 48.93 37.44 10.17 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -171.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 83.52 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 113.759 -1.564 . . . . 0.0 112.721 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -69.56 -42.85 80.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 CA-C-N 111.888 -2.415 . . . . 0.0 111.348 176.028 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.825 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.38 142.03 18.27 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.837 0.827 . . . . 0.0 112.612 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -104.03 -47.3 4.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.421 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -83.58 -4.91 58.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.166 -176.147 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -42.37 -49.08 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.917 172.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 38.1 t70 -115.27 20.01 15.18 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.861 0.865 . . . . 0.0 110.602 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 9.4 t0 -49.84 -41.03 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.793 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.608 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 9.9 t70 78.06 -22.61 0.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.89 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG2' ' OD1' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -132.29 170.91 14.39 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 121.068 0.461 . . . . 0.0 111.216 -178.191 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.7 tp -75.08 139.26 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.584 -174.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.3 m -106.64 -168.47 1.42 Allowed 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 121.492 0.663 . . . . 0.0 111.809 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -74.27 163.71 27.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.235 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 137' ' ' ILE . 40.9 mtp180 -52.82 -42.99 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.834 0.826 . . . . 0.0 109.56 167.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HA ' HG13 ' A' ' 27' ' ' ILE . 25.2 t70 -71.59 -7.53 48.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.132 -174.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 14.9 t -96.31 -26.47 15.37 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 19.7 mm -80.72 -8.89 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.538 1.161 . . . . 0.0 108.058 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 23' ' ' ARG . 44.7 mm -69.56 -56.0 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 113.154 -1.839 . . . . 0.0 109.621 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -74.07 -31.28 62.78 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 114.535 -1.212 . . . . 0.0 108.946 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 53' ' ' LEU . 30.0 tp -50.29 -49.67 52.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.854 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 30' ' ' ILE . 6.8 mm -60.2 -35.57 62.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.378 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.5 -47.59 69.53 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -58.51 -50.61 73.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 66.2 t80 -64.97 -55.4 19.3 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 120.746 0.308 . . . . 0.0 111.632 -174.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.4 mm -53.68 -33.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.909 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 44.6 m -77.72 -35.32 52.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.894 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.6 t90 -67.28 -40.47 86.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.136 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.752 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.85 -29.97 30.99 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.493 0.663 . . . . 0.0 109.682 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 35' ' ' THR . 29.0 t-20 -81.88 -46.3 14.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.103 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' HG23 ' A' ' 42' ' ' VAL . 7.0 m170 -55.45 -34.98 64.97 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 13.5 t -61.19 -21.27 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.779 0.8 . . . . 0.0 110.155 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 110' ' ' GLU . 19.1 mm -99.04 -62.82 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.899 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -52.93 -52.36 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.985 -179.751 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' ' 7' ' ' TYR . 1.4 m-85 -87.28 -11.23 50.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.172 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.711 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.4 t-20 49.13 57.05 6.88 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.391 -1.731 . . . . 0.0 110.608 -172.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.018 ' HE2' ' HA ' ' A' ' 8' ' ' GLU . 6.6 mtpm? -74.22 -135.9 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.65 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 3.3 t70 -135.3 151.12 50.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.702 177.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.6 tp -78.81 -29.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.151 174.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -81.53 -16.08 52.86 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.561 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.7 t -73.03 82.2 1.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.349 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p 179.82 -170.42 0.14 Allowed 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.34 -165.27 19.29 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.723 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.608 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 42.8 mtt180 -68.78 -47.03 67.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.594 0.712 . . . . 0.0 111.731 -171.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.51 -44.06 56.03 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.82 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 1.9 m-30 -68.05 -31.77 71.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -174.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 51' ' ' GLY . 60.9 mmtt -60.77 -34.37 74.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.937 0.398 . . . . 0.0 109.997 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.84 -37.6 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.39 -178.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.58 -36.65 69.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.267 0.556 . . . . 0.0 110.628 173.353 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.653 ' HA ' HH21 ' A' ' 37' ' ' ARG . 44.6 mtt -59.86 -33.59 72.01 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 58.4 mttt -73.47 -13.23 61.02 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.043 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.616 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -79.21 -13.17 59.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.027 0.917 . . . . 0.0 109.597 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.752 ' HB2' HH22 ' A' ' 37' ' ' ARG . 6.3 t70 -67.3 -42.05 84.35 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 170.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.5 t70 -73.51 -42.8 61.32 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.737 -2.029 . . . . 0.0 110.689 -173.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.35 -34.74 62.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.982 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.36 -41.79 63.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.856 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.8 mt -57.83 -35.59 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.673 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -71.37 -43.85 66.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.084 0.468 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.3 OUTLIER -79.35 -68.82 0.63 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.451 -172.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.04 -37.4 64.31 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 102.97 142.78 12.41 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.767 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -57.06 -43.52 81.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 O-C-N 124.229 0.605 . . . . 0.0 109.496 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -55.08 -52.78 62.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.403 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.795 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.02 -43.92 86.21 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.561 -178.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.772 HG12 HD13 ' A' ' 104' ' ' ILE . 38.1 mt -57.61 -46.6 86.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -54.48 -48.35 71.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.938 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.78 -37.32 79.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.735 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.888 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.1 mp -69.15 -52.96 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.65 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.53 -50.97 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.642 0.734 . . . . 0.0 111.378 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 77' ' ' VAL . 88.1 mt-10 -58.2 -39.32 78.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.203 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.42 73.06 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.05 0.453 . . . . 0.0 110.093 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.888 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.0 mmt -48.88 -40.16 28.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.723 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.618 ' HB2' HG21 ' A' ' 117' ' ' ILE . 53.6 p -76.84 -17.93 58.68 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.473 -168.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.99 3.46 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.673 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.87 25.92 72.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.792 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.13 114.69 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -135.09 -176.76 4.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.39 1.09 . . . . 0.0 112.812 -171.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.528 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -149.24 160.88 42.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.232 175.642 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 86' ' ' TYR . 1.7 tp 178.31 148.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.01 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -102.75 173.12 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.952 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -131.0 145.17 51.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.437 0.637 . . . . 0.0 112.046 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 167.9 11.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.093 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -149.22 -80.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.448 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.05 37.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 111.276 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.7 -81.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.1 143.45 33.06 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.892 0.377 . . . . 0.0 111.45 -175.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.6 tt0 -51.48 -31.35 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.801 168.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.9 tt0 -58.06 -39.41 78.38 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.722 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 20.8 t -77.64 -33.44 53.55 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.6 mt -55.42 -51.99 65.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.789 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.8 m-30 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.33 -33.32 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.173 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.454 ' O ' HD11 ' A' ' 131' ' ' LEU . 30.8 m -66.08 -32.29 73.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -72.38 -53.65 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.71 -40.2 98.89 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.049 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.772 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.69 -39.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.12 -30.1 64.73 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.085 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.21 -36.16 71.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 110.516 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -68.56 -29.49 68.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.558 0.694 . . . . 0.0 109.909 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.511 ' HA ' HG23 ' A' ' 77' ' ' VAL . 39.0 mt -75.6 -48.86 28.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.6 t -62.0 -37.3 84.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.881 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.8 pt-20 -68.59 -49.61 58.02 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.186 -0.321 . . . . 0.0 111.113 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 41.9 t-80 -52.18 -34.41 45.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.608 -173.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.524 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 50.5 m0 -72.31 -21.73 61.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -55.47 -43.38 85.3 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 -168.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.421 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.2 m-30 -50.3 -54.84 18.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 117.37 0.585 . . . . 0.0 112.262 -170.094 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.579 ' CG ' HG12 ' A' ' 117' ' ' ILE . 3.1 ptpp? -111.44 9.56 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.15 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 58.55 63.37 1.71 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.612 0.72 . . . . 0.0 109.47 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 81' ' ' SER . 18.3 mt -71.48 149.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.202 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 23.2 t 167.74 -35.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.337 1.023 . . . . 0.0 108.293 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 69.53 -50.93 0.62 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.536 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.6 m -83.85 107.91 16.54 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.09 -31.78 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.242 0.544 . . . . 0.0 110.213 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -88.99 136.33 33.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.366 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 64.48 44.15 4.21 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.289 0.566 . . . . 0.0 110.479 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 t -82.51 -7.26 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.011 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -147.62 -179.95 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.62 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.14 -97.71 0.12 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.069 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.08 92.2 7.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.96 0.409 . . . . 0.0 110.969 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.685 HG13 ' H ' ' A' ' 129' ' ' THR . 10.7 pt -112.85 -59.9 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.106 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.685 ' H ' HG13 ' A' ' 128' ' ' ILE . 2.7 p -75.67 -30.22 59.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.339 0.59 . . . . 0.0 110.144 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.55 -1.03 32.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.273 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.21 -11.67 59.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.661 0.743 . . . . 0.0 109.781 178.727 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -136.15 179.11 6.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.89 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.1 p -130.48 156.05 45.43 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.39 -170.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.898 ' HA ' HD13 ' A' ' 137' ' ' ILE . 18.2 t70 -49.49 -29.87 7.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.297 0.57 . . . . 0.0 111.108 168.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 139' ' ' ILE . 10.7 t70 -70.77 -28.58 64.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.579 0.705 . . . . 0.0 109.324 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.4 t-20 -78.92 -31.39 45.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.78 -40.48 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.932 178.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.554 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.5 m-80 -63.82 -43.38 96.4 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.488 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.7 mt -63.27 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.811 0.815 . . . . 0.0 109.409 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.21 -51.91 65.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.886 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.597 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.2 mm -51.69 -43.89 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.418 0.627 . . . . 0.0 109.725 175.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.5 -48.46 69.73 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.683 -174.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -56.78 -47.14 80.82 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.948 0.88 . . . . 0.0 110.615 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.818 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 36.1 mt -66.95 -43.2 83.79 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.58 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.529 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.3 mt-10 -53.1 -25.15 12.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 124.145 0.903 . . . . 0.0 112.375 -176.409 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 11.5 mmmm -47.72 -39.26 17.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.816 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -121.6 -20.76 6.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 122.113 0.958 . . . . 0.0 110.376 177.363 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.818 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -79.83 178.49 8.16 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.734 -1.575 . . . . 0.0 111.706 178.39 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.179 -166.594 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.48 86.59 2.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 t -117.19 16.03 14.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.992 0.901 . . . . 0.0 109.105 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -117.77 119.23 34.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.3 pt? -109.11 100.73 9.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.0 110.465 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 5.2 m-20 -69.89 -23.28 63.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.109 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.811 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 13.4 p90 -86.94 75.18 9.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.353 0.597 . . . . 0.0 111.027 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 10' ' ' ALA . 15.4 mt-10 -85.38 -60.08 2.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.714 0.768 . . . . 0.0 110.443 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -81.31 27.17 0.43 Allowed 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.334 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.811 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -64.24 74.15 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.008 1.385 . . . . 0.0 111.564 171.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -64.51 -44.47 96.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.496 178.122 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.885 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.04 138.03 31.75 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 178.15 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -106.22 -45.46 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.052 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -74.33 -6.93 50.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.167 -178.377 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.2 p -41.72 -47.28 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.066 171.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.543 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.9 t70 -116.34 18.87 15.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.847 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.852 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.7 t0 -51.88 -39.28 58.75 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 111.16 -175.39 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.811 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 19.1 t70 72.62 -24.04 0.2 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.648 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.1 pttp -115.99 171.86 7.52 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.407 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.746 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.3 tp -88.42 136.18 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.442 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 -163.7 0.88 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-O 121.508 0.67 . . . . 0.0 112.068 -176.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 t -64.2 159.54 20.46 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.785 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 44.5 mtt85 -51.66 -43.26 62.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.907 0.86 . . . . 0.0 109.359 167.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . 17.5 t70 -76.43 -0.39 22.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.975 -172.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 6.4 t -94.14 -26.53 16.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.182 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.548 HD13 HD22 ' A' ' 29' ' ' LEU . 25.4 mm -76.55 -13.11 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 CA-C-O 122.589 1.185 . . . . 0.0 108.172 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 24' ' ' ASP . 45.9 mm -68.75 -56.38 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.076 -1.875 . . . . 0.0 109.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -31.89 63.4 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.637 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 53' ' ' LEU . 32.7 tp -50.29 -49.91 52.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.324 -2.216 . . . . 0.0 113.226 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.87 -33.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 -48.41 64.29 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -58.31 -50.76 72.48 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.826 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 72.5 t80 -62.96 -56.18 19.36 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.952 0.406 . . . . 0.0 111.589 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 109' ' ' THR . 43.1 mm -56.37 -31.71 33.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.106 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 28.2 m -77.73 -36.37 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.828 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.611 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.7 t90 -66.97 -41.21 87.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.079 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 ' CD ' ' A' ' 110' ' ' GLU . 33.3 mmm-85 -54.26 -27.17 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.616 0.572 . . . . 0.0 109.821 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 25.9 t-20 -81.43 -45.44 16.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.806 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 16.3 m170 -59.96 -34.62 73.52 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 12.2 t -61.28 -23.04 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.647 0.737 . . . . 0.0 110.439 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 110' ' ' GLU . 25.7 mm -91.17 -64.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.926 -175.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' HB ' ' HD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.08 -48.27 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.581 -178.029 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.4 m-85 -92.67 -14.69 27.73 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.196 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.64 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.0 t-20 53.43 58.15 5.49 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.831 -166.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 99.5 mttt -72.41 -132.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.485 175.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.654 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.4 t0 -135.16 143.05 46.27 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.295 0.569 . . . . 0.0 110.654 177.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -83.8 -27.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.861 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -81.52 -19.26 42.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.108 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.654 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.3 t -80.5 81.4 6.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.087 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.9 p -171.69 -168.73 0.62 Allowed 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.814 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.543 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.34 -165.86 18.36 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.045 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.811 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mmt180 -71.64 -43.5 66.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.243 0.544 . . . . 0.0 112.026 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.98 -44.25 63.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.229 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-30 -70.83 -32.58 69.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 67.6 mmtt -61.68 -35.01 76.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.515 0.674 . . . . 0.0 109.868 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.9 tp10 -72.76 -37.34 67.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.306 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -57.18 -39.0 74.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 172.195 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 49.3 mtt -57.71 -34.34 69.36 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.779 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 58.7 mttt -69.39 -14.41 62.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.025 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.3 m-30 -76.47 -13.54 60.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.804 0.811 . . . . 0.0 109.72 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' HG13 ' A' ' 65' ' ' ILE . 6.7 t70 -69.24 -39.92 78.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 65' ' ' ILE . 12.1 t70 -73.94 -42.92 59.84 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.363 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.78 -35.19 66.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.807 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.56 64.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.915 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 62' ' ' ASP . 66.6 mt -55.69 -37.82 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.074 0.464 . . . . 0.0 110.682 173.111 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -69.78 -45.96 66.85 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.242 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.463 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -75.95 -72.04 0.34 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.907 -173.629 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CE2' ' HB1' ' A' ' 100' ' ' ALA . 22.8 m-85 -72.82 -32.97 65.89 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.427 -175.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 102.7 139.29 10.39 Favored Glycine 0 N--CA 1.432 -1.588 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.435 175.268 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 65' ' ' ILE . 9.1 tp -59.18 -44.53 92.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -0.751 . . . . 0.0 110.178 -175.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.22 -53.74 52.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.288 0.566 . . . . 0.0 111.266 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.816 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.63 -41.25 88.59 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.61 -176.471 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 104' ' ' ILE . 18.3 mt -58.11 -48.77 83.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.551 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.476 HD21 HG13 ' A' ' 70' ' ' ILE . 95.6 m-20 -57.02 -44.21 82.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.348 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.1 -38.8 69.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.896 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -66.26 -52.58 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.814 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.779 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.1 p -53.51 -50.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 122.032 0.92 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 77' ' ' VAL . 30.9 mt-10 -60.9 -38.46 85.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.281 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.33 86.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.621 0.248 . . . . 0.0 110.91 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.896 ' HE3' HG23 ' A' ' 76' ' ' ILE . 13.0 mmt -46.39 -30.59 2.19 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.893 171.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.796 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m -82.58 -9.23 59.49 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.014 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -97.56 -3.47 39.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.058 0.456 . . . . 0.0 110.896 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.87 49.73 52.57 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.7 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.61 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.636 ' ND1' ' HA ' ' A' ' 80' ' ' MET . 19.3 p-80 45.01 -162.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 168.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.634 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -165.68 151.45 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.509 -1.678 . . . . 0.0 108.289 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 87' ' ' ILE . 4.0 mm -151.59 133.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.142 0.496 . . . . 0.0 111.316 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -100.23 132.1 45.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.257 173.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.822 0.344 . . . . 0.0 111.457 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 p -109.06 151.57 26.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -148.65 -73.12 0.19 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.238 0.542 . . . . 0.0 110.211 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.28 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.543 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.418 ' HB3' ' H ' ' A' ' 94' ' ' ASP . 79.4 m80 -106.15 -156.64 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.501 -173.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 93' ' ' HIS . 9.5 m-20 -99.31 156.69 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.363 -173.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -48.95 -41.68 34.85 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.083 0.24 . . . . 0.0 111.59 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 33.2 tt0 -57.55 -38.75 75.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 0.0 110.57 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -37.82 57.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.642 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.9 mm? -61.26 -48.82 79.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.223 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.449 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.6 m-30 -63.21 -39.59 95.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.362 0.601 . . . . 0.0 110.756 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 68' ' ' TYR . . . -57.37 -36.77 71.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.791 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.444 ' O ' HD11 ' A' ' 131' ' ' LEU . 25.5 m -69.69 -29.12 66.46 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.42 -51.69 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.429 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.65 -39.04 95.18 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.765 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.714 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.53 -40.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.446 ' HA ' HD12 ' A' ' 108' ' ' ILE . 46.0 t -72.26 -28.1 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.269 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.17 75.98 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 110.818 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 78.6 tttt -72.06 -29.08 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.407 0.622 . . . . 0.0 110.069 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.779 ' HA ' HG23 ' A' ' 77' ' ' VAL . 52.8 mt -71.64 -51.37 33.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.52 HG21 HG23 ' A' ' 34' ' ' ILE . 10.0 t -60.27 -32.96 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.859 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.594 ' HB2' HG13 ' A' ' 41' ' ' ILE . 23.2 pt-20 -80.07 -39.55 29.48 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -56.11 -29.35 60.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 111.443 -174.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.413 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.5 m0 -71.16 -18.46 62.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.682 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.66 93.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.393 -171.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.7 m-85 -52.98 -63.26 1.2 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.37 19.55 18.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.537 -0.465 . . . . 0.0 112.155 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 60.63 76.06 0.38 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 110.899 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.796 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.3 mt -102.84 156.42 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.687 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.541 ' OG ' ' HA ' ' A' ' 81' ' ' SER . 50.9 m 58.13 89.79 0.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.092 0.87 . . . . 0.0 112.765 173.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -112.02 23.2 14.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.875 0.845 . . . . 0.0 109.102 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -74.27 100.75 3.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.12 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -77.43 79.09 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.374 0.607 . . . . 0.0 110.888 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -145.78 107.48 4.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.492 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -92.0 153.54 19.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 125' ' ' LEU . 16.0 t -135.4 141.62 45.52 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 124' ' ' SER . 52.9 tp 74.54 -48.78 0.66 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.852 0.72 . . . . 0.0 111.072 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.31 -123.45 1.01 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -112.1 177.38 4.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.26 -32.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.045 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.96 -3.46 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -176.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -82.62 -4.64 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.758 0.79 . . . . 0.0 110.309 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -137.03 156.54 48.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.553 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.3 p -93.47 -177.66 4.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.693 -170.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.75 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.7 p-10 -81.46 -31.7 32.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -175.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 139' ' ' ILE . 38.1 t70 -74.67 -19.74 60.15 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 111.743 -2.481 . . . . 0.0 110.185 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 24.5 t-20 -75.29 -31.57 60.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.75 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.2 mp -58.71 -42.54 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.723 175.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.462 ' O ' HD13 ' A' ' 142' ' ' LEU . 37.7 m-80 -67.4 -45.43 76.22 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.793 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.8 mt -61.17 -39.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.761 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.56 -52.37 61.37 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.92 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.7 mm -50.92 -47.17 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.393 0.616 . . . . 0.0 109.471 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -66.45 -49.19 67.5 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.205 -175.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -47.81 78.54 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 122.056 0.931 . . . . 0.0 110.406 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.678 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 55.1 mt -67.03 -41.8 85.95 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.331 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 44.7 mt-10 -52.99 -25.98 13.85 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.932 0.77 . . . . 0.0 112.55 -177.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 31.6 mmmt -50.26 -38.2 39.74 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.639 172.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.43 -10.47 9.28 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.351 1.072 . . . . 0.0 109.595 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.746 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -97.36 177.49 5.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.369 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.5 t30 . . . . . 0 C--O 1.251 1.167 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.065 -168.345 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 48.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -129.46 40.5 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.192 -173.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -89.85 35.06 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.625 0.726 . . . . 0.0 110.296 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.53 -9.88 26.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.44 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -88.79 141.33 28.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.497 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.755 ' HB3' ' HD2' ' A' ' 43' ' ' PHE . 85.2 m-85 -108.31 148.13 30.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.845 -174.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.67 -73.39 0.55 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.188 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER 49.58 36.89 11.25 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.517 -171.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -76.64 71.6 3.25 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.884 1.326 . . . . 0.0 111.044 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -63.77 -43.65 98.02 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 111.494 -2.594 . . . . 0.0 111.052 174.843 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.711 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.53 143.57 11.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.746 0.784 . . . . 0.0 112.611 177.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -103.5 -46.89 4.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.208 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.91 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.09 -6.56 56.74 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.354 -175.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.657 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -46.66 -45.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.154 173.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.561 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 6.6 t70 -117.18 16.55 14.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.945 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.91 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 25.0 t70 -55.79 -34.87 65.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.668 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.733 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 22.3 t70 74.56 -23.99 0.22 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.763 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.8 pttm -121.83 172.35 8.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 122.857 0.463 . . . . 0.0 111.239 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.1 tp -80.96 136.77 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.218 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.0 -166.89 1.34 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 121.542 0.686 . . . . 0.0 111.55 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 26' ' ' ILE . 41.2 t -74.14 162.73 28.67 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.964 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' HG21 ' A' ' 137' ' ' ILE . 95.3 mtt180 -54.28 -43.84 71.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.647 0.736 . . . . 0.0 109.384 167.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.16 -4.53 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.365 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.5 t -99.56 -25.0 14.57 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.197 -175.184 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.658 ' HB ' HG12 ' A' ' 137' ' ' ILE . 17.9 mm -80.14 -10.23 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.529 1.157 . . . . 0.0 107.995 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.8 mm -68.68 -54.89 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.816 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 8.2 m-20 -72.09 -34.49 68.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 53' ' ' LEU . 33.0 tp -50.74 -51.28 51.5 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.786 -174.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.6 mm -60.04 -34.93 58.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.462 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 16.0 t70 -68.13 -47.85 66.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.315 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.711 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -59.04 -51.62 69.28 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.5 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 84.8 t80 -62.65 -56.62 16.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.986 -174.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.552 HG23 HG21 ' A' ' 109' ' ' THR . 30.1 mm -55.03 -32.06 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.945 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 41.4 m -80.08 -34.76 37.81 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.889 175.002 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.5 t90 -66.87 -41.65 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.244 . . . . 0.0 111.657 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 10.9 mmm180 -56.53 -26.75 55.63 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.4 t-20 -78.01 -47.81 17.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.917 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.73 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 9.2 m170 -52.41 -39.53 61.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.663 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.4 t -57.29 -25.05 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.811 0.815 . . . . 0.0 110.559 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 114' ' ' TYR . 19.6 mm -94.0 -65.48 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.559 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.51 -46.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.176 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.755 ' HD2' ' HB3' ' A' ' 7' ' ' TYR . 2.2 m-85 -90.19 -10.83 42.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.27 -175.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 63.7 t30 50.9 52.1 15.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.677 -174.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 54.2 mtpt -76.46 -137.19 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.789 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 2.1 t70 -135.16 145.72 48.05 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.077 0.465 . . . . 0.0 110.112 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -79.54 -28.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.135 174.109 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.7 p -82.81 -17.11 45.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.446 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 44.3 t -77.61 82.84 4.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.485 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.4 p -172.85 -166.24 0.35 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.561 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.36 -165.47 18.28 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.947 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.733 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.3 mtt180 -68.5 -48.0 65.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.433 0.635 . . . . 0.0 111.701 -172.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -51.58 -44.74 62.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.644 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.657 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 54.9 mmtt -62.91 -33.99 76.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.36 0.6 . . . . 0.0 109.437 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 144' ' ' LEU . 14.5 tp10 -72.13 -37.8 69.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -176.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -57.03 -39.03 74.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.487 172.93 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.1 mtt -58.46 -34.37 70.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.808 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -69.79 -14.32 62.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.687 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.623 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.08 -16.17 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.765 0.793 . . . . 0.0 109.496 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' O ' HG13 ' A' ' 65' ' ' ILE . 25.5 t70 -69.76 -42.08 74.33 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 171.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 65' ' ' ILE . 16.3 t70 -74.09 -41.64 61.36 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.316 -173.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -61.68 -35.39 67.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.888 -1.506 . . . . 0.0 109.738 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.74 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 62' ' ' ASP . 63.1 mt -57.99 -39.84 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.792 172.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 66' ' ' ARG . 40.2 ttp180 -70.87 -42.0 70.65 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.5 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -76.34 -71.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.089 -174.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.61 -48.68 46.42 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.846 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 120.68 138.11 5.48 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -57.97 -42.46 82.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 34.9 t70 -59.42 -49.81 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -59.55 -45.6 91.32 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.781 178.417 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 104' ' ' ILE . 45.9 mt -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.343 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.16 -47.74 77.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.053 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.1 mt-10 -57.63 -45.05 85.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.298 1.047 . . . . 0.0 109.164 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.702 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -72.78 -53.46 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.594 -173.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -55.17 -52.7 42.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 121.206 0.527 . . . . 0.0 110.57 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.2 mt-10 -53.92 -45.35 71.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.791 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.517 ' HB1' ' CE1' ' A' ' 85' ' ' HIS . . . -61.01 -37.28 81.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.579 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.726 ' HG3' HG12 ' A' ' 108' ' ' ILE . 23.1 mmt -48.7 -17.03 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.428 ' N ' ' HZ2' ' A' ' 112' ' ' TRP . 85.7 p -70.65 -19.5 62.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.689 . . . . 0.0 109.746 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.33 -15.08 58.49 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.783 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 33.82 63.53 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.562 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -140.23 -167.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -170.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.517 ' CE1' ' HB1' ' A' ' 79' ' ' ALA . 11.4 m80 66.48 -174.24 0.19 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.523 1.129 . . . . 0.0 112.065 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.602 ' HA ' HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER 66.27 166.79 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 114.253 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.602 HD13 ' HA ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -147.38 -157.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.981 -160.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.434 ' H ' ' HB ' ' A' ' 87' ' ' ILE . 92.0 m-20 -65.46 149.21 50.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.172 0.51 . . . . 0.0 111.659 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -86.63 165.07 16.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.359 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.7 p -102.56 115.24 30.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.958 0.409 . . . . 0.0 111.631 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -107.01 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.691 . . . . 0.0 109.886 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 92' ' ' VAL . 7.8 m -79.22 49.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.251 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.56 -84.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.501 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 5.9 t70 -155.65 163.83 39.41 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 98' ' ' LEU . 57.8 tt0 -56.78 -38.52 72.63 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.884 176.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.4 tt0 -61.6 -36.79 81.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -39.88 71.06 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.48 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 95' ' ' GLN . 89.0 mt -54.23 -53.71 49.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.27 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HB3' HG11 ' A' ' 63' ' ' VAL . 13.1 m-30 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.967 0.413 . . . . 0.0 111.384 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.89 -31.46 66.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.429 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.564 ' O ' HD11 ' A' ' 131' ' ' LEU . 98.1 m -66.91 -36.17 81.64 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.735 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.2 -53.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.886 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.27 99.78 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.255 -173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.788 HD13 HG12 ' A' ' 73' ' ' ILE . 4.6 tp -55.1 -45.8 77.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.786 0.327 . . . . 0.0 110.501 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.61 ' HA ' HD12 ' A' ' 108' ' ' ILE . 59.1 m -72.72 -24.19 60.95 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.601 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.62 74.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.85 0.357 . . . . 0.0 110.398 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -73.71 -29.32 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.72 0.772 . . . . 0.0 110.619 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.726 HG12 ' HG3' ' A' ' 80' ' ' MET . 42.1 mt -69.19 -46.93 76.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.584 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.552 HG21 HG23 ' A' ' 34' ' ' ILE . 11.2 t -68.34 -30.81 69.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.98 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.567 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 18.1 pt-20 -78.83 -54.35 6.16 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -173.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 56.4 t-80 -58.03 -25.89 61.75 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 111.813 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -66.32 -16.3 63.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.444 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.28 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.476 -0.392 . . . . 0.0 112.997 -174.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -52.65 -54.62 30.76 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.3 ptpt -110.25 3.15 19.73 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.161 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm 63.96 81.47 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.684 HD12 ' CE3' ' A' ' 112' ' ' TRP . 11.3 mt -101.09 158.29 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.804 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 117' ' ' ILE . 32.2 t 83.83 161.24 0.12 Allowed 'General case' 0 N--CA 1.463 0.175 0 O-C-N 124.081 0.863 . . . . 0.0 111.395 171.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.86 -0.08 55.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.613 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.0 t -82.55 82.47 7.94 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 121' ' ' ARG . 8.5 mmt180 -96.14 39.94 1.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.159 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 65.51 176.72 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.018 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 58.24 35.83 25.25 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.296 0.569 . . . . 0.0 110.771 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.8 p -151.79 152.12 32.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.817 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.35 146.77 25.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -152.74 -154.21 6.61 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -114.53 40.02 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.257 0.551 . . . . 0.0 109.851 175.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mt -96.31 -76.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.325 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 p -74.91 -28.77 60.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.377 0.608 . . . . 0.0 110.973 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.66 -1.22 18.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.338 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -84.74 -9.95 57.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 -171.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.2 ppp? -120.11 168.1 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 137' ' ' ILE . 12.3 p -131.27 158.65 40.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -166.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.733 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.1 t70 -48.98 -33.18 10.48 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.781 0.675 . . . . 0.0 111.373 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.81 -32.29 72.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.681 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.522 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.1 t-20 -78.16 -29.94 48.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -175.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -59.12 -37.99 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.975 178.552 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.456 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.7 m-80 -61.77 -45.73 92.62 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.873 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.1 mp -61.85 -42.02 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.886 0.85 . . . . 0.0 108.997 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.64 -53.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.063 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.675 ' HA ' HD11 ' A' ' 20' ' ' ILE . 23.5 mm -50.3 -46.13 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.488 0.661 . . . . 0.0 109.605 175.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -67.1 -49.86 63.51 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.901 -175.746 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 68.8 t80 -57.24 -45.33 84.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 122.159 0.98 . . . . 0.0 110.783 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.725 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 71.6 mt -66.47 -42.97 86.7 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.826 -1.534 . . . . 0.0 110.363 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 19.7 mt-10 -53.26 -24.6 11.84 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 112.518 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.569 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 54.5 mmtt -47.48 -43.75 24.68 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.136 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.569 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -115.48 -12.03 11.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.004 0.907 . . . . 0.0 110.008 179.122 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.725 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -98.08 177.56 5.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.004 -178.445 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.679 -171.338 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.321 0.581 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.96 62.94 4.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.803 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.2 m -63.66 -53.31 53.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -141.55 21.8 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.864 168.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.92 45.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.591 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 3.4 m-20 -74.13 -39.14 63.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.852 0.834 . . . . 0.0 109.502 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -105.9 67.37 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.672 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.41 -72.48 0.17 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.495 0.664 . . . . 0.0 110.779 -175.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -87.92 31.35 0.78 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 78.91 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.887 1.327 . . . . 0.0 111.322 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' H ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -69.96 -43.09 79.67 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.255 -178.466 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.2 144.35 9.56 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.951 0.882 . . . . 0.0 113.155 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -100.9 -53.4 3.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.147 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.993 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -4.47 35.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.195 -174.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.724 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -49.16 -48.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.993 171.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.668 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 5.7 t70 -116.38 19.16 14.91 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.472 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.993 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.4 t0 -52.23 -36.37 52.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.358 -170.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.681 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 14.6 t70 73.01 -29.19 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.096 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.536 ' C ' HD13 ' A' ' 148' ' ' LEU . 26.4 pttm -116.73 170.48 8.56 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.78 -174.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -83.43 144.25 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.483 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -168.43 1.5 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.96 0.886 . . . . 0.0 112.544 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -65.68 156.44 32.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.774 -1.557 . . . . 0.0 111.342 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.6 mtm180 -55.75 -36.86 67.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.344 1.068 . . . . 0.0 109.375 168.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -75.64 -2.56 29.97 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.884 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.5 t -105.06 -21.33 13.29 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.115 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.9 mm -79.47 -5.71 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 122.792 1.282 . . . . 0.0 107.957 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.38 -56.41 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.009 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 4.1 m-20 -72.58 -30.84 64.74 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.523 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 53' ' ' LEU . 31.2 tp -50.14 -48.97 53.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 112.6 -2.091 . . . . 0.0 112.833 -175.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.9 mm -61.25 -34.7 61.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.063 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.38 -43.88 69.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.651 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.9 mm-40 -59.36 -51.98 67.58 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.596 177.082 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.46 -56.07 21.63 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.109 0.481 . . . . 0.0 111.584 -174.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.804 HG13 HG21 ' A' ' 128' ' ' ILE . 46.6 mm -56.06 -36.23 44.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.991 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 88.5 m -73.74 -34.97 64.98 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.916 175.116 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.4 t90 -67.57 -38.9 84.76 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.264 -0.272 . . . . 0.0 111.476 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 110' ' ' GLU . 43.7 mmm-85 -58.92 -21.45 57.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.282 0.563 . . . . 0.0 109.954 175.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.2 t-20 -84.58 -44.87 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.169 177.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.709 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.71 -32.3 29.59 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.704 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.3 t -67.44 -24.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.032 0.92 . . . . 0.0 109.794 -176.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG21 ' O ' ' A' ' 110' ' ' GLU . 27.2 mm -93.42 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.506 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -52.4 -52.33 26.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.137 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.1 m-85 -88.89 -7.7 55.6 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.761 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 54.56 51.14 14.55 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.308 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 48.2 mtpt -77.16 -142.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.524 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 4.3 t0 -134.53 145.31 48.62 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.633 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.4 tp -77.02 -28.73 16.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.988 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -83.33 -16.45 46.09 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.287 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.598 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 37.0 t -77.04 82.86 3.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.233 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -173.56 -162.16 0.15 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.918 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.62 -166.62 19.19 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.826 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.8 mtt180 -75.88 -43.45 45.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.49 0.662 . . . . 0.0 111.624 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 144' ' ' LEU . 6.2 tt -51.49 -42.54 61.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.758 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.2 m-30 -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 60.5 mmtt -60.74 -32.2 71.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.461 0.648 . . . . 0.0 109.771 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -71.62 -42.56 67.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.248 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -55.38 -37.86 68.1 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.958 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 51.1 mtt -57.21 -33.95 68.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.175 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mttt -66.4 -18.85 65.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.031 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.631 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.3 m-30 -78.65 -12.96 60.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.985 0.898 . . . . 0.0 109.77 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.2 t70 -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 171.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.701 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.6 t70 -78.36 -40.81 35.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.319 -2.219 . . . . 0.0 110.673 -171.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.7 -34.92 64.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.22 63.99 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.088 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 62' ' ' ASP . 50.0 mt -58.19 -36.72 58.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.381 172.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -69.7 -45.35 68.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.428 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -75.81 -71.94 0.35 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.467 -175.732 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -70.45 -41.69 72.48 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.479 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.569 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.15 142.57 10.21 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.876 175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.62 -44.02 84.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.017 -0.592 . . . . 0.0 109.653 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 11.1 t70 -57.18 -52.58 64.74 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.587 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.31 -43.96 96.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.767 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 104' ' ' ILE . 30.3 mt -58.95 -45.83 91.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.601 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.18 -47.19 78.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.944 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 73.0 mt-10 -66.38 -40.92 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.816 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -67.52 -52.68 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.139 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.17 -50.5 45.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.928 0.87 . . . . 0.0 111.138 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' N ' HG13 ' A' ' 77' ' ' VAL . 63.4 mt-10 -55.35 -46.36 76.43 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.367 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.91 66.79 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.953 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.816 ' HE3' HG23 ' A' ' 76' ' ' ILE . 14.4 mmt -44.07 -33.66 1.53 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.793 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.493 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m -81.75 -10.17 59.43 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 -171.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.53 -7.9 57.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.101 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.38 15.84 59.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.473 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.15 147.31 29.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.571 ' HD2' ' H ' ' A' ' 87' ' ' ILE . 14.5 p-80 -149.94 175.67 11.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.421 0.629 . . . . 0.0 111.788 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.49 46.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.433 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.571 ' H ' ' HD2' ' A' ' 85' ' ' HIS . 47.2 mm -88.03 110.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -96.76 125.14 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -85.35 114.97 22.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -81.91 71.99 8.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 110.038 171.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -67.51 -69.69 0.3 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.823 -174.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.66 48.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.222 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -97.6 -79.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.16 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -147.76 166.88 26.18 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.4 tt0 -58.38 -37.89 76.18 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.72 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 30.3 tt0 -58.55 -34.05 70.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 176.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.5 t -79.79 -32.81 40.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.521 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 95' ' ' GLN . 74.5 mt -57.88 -47.84 81.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.915 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.2 m-30 -71.25 -39.63 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.946 0.403 . . . . 0.0 111.73 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.43 -33.37 67.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.561 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.512 ' O ' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -67.39 -28.35 67.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.752 0.31 . . . . 0.0 111.163 -178.056 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.94 -53.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.318 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.8 96.1 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.754 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.79 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.31 -40.72 82.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.62 -26.19 61.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -71.57 -41.5 68.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.965 0.412 . . . . 0.0 110.509 -176.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -63.57 -32.04 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 110.458 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.777 ' HA ' HG23 ' A' ' 77' ' ' VAL . 41.5 mt -71.48 -49.47 46.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.853 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 34' ' ' ILE . 9.2 t -62.6 -28.62 70.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.42 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mt-10 -65.93 -51.8 55.38 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -54.51 -31.68 56.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.618 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.632 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 54.8 m0 -72.31 -20.14 61.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.42 -47.14 87.41 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.04 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.497 ' CE1' HG23 ' A' ' 41' ' ' ILE . 14.5 m-85 -53.46 -57.04 12.09 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.1 0.45 . . . . 0.0 112.142 -169.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.1 ptpt -110.66 6.81 21.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 112' ' ' TRP . 9.2 mtpm? 61.34 82.94 0.16 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.829 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 81' ' ' SER . 7.6 mt -101.62 155.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.602 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.6 m 58.77 30.88 20.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.278 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -79.12 3.04 18.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 m -68.38 -17.15 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.416 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.38 102.78 12.26 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -86.16 -159.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.532 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 124' ' ' SER . 15.6 pt20 -69.32 170.79 9.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.047 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 123' ' ' GLN . 33.4 t 75.95 4.66 3.83 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.9 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.6 mt -139.05 131.08 27.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.387 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 128' ' ' ILE . . . 137.05 30.19 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.82 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.8 78.63 6.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.005 0.431 . . . . 0.0 110.844 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.804 HG21 HG13 ' A' ' 34' ' ' ILE . 4.7 mp -67.22 -20.7 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.586 0.708 . . . . 0.0 109.338 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 17.5 p -54.46 -33.32 59.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.636 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.78 -1.61 57.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.746 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.512 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.54 -24.96 36.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.649 0.738 . . . . 0.0 109.279 176.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.579 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -109.7 160.23 16.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.927 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.511 ' O ' HD12 ' A' ' 137' ' ' ILE . 8.6 p -90.25 -176.05 4.71 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -169.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -82.33 -32.59 29.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.107 -2.182 . . . . 0.0 105.107 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.09 -21.12 60.82 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 111.615 -2.539 . . . . 0.0 110.2 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.579 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 22.0 t-20 -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -172.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 26' ' ' ILE . 1.4 mp -57.65 -45.26 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.512 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 142' ' ' LEU . 16.4 m120 -65.88 -42.4 90.36 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.053 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.07 -40.45 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.79 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -66.3 -50.12 64.75 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.47 -175.877 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.9 mm -50.65 -46.0 27.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -65.43 -48.36 73.03 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.963 -177.747 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 76.3 t80 -56.78 -46.58 81.4 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 122.171 0.986 . . . . 0.0 110.146 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.79 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.4 mt -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.701 -1.59 . . . . 0.0 110.313 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 22.2 mt-10 -53.23 -24.84 12.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 124.012 0.82 . . . . 0.0 112.496 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.56 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 22.2 mmtt -48.75 -37.45 18.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.764 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.56 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.9 -11.7 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.074 0.94 . . . . 0.0 110.095 176.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.711 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -100.41 178.5 4.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.736 -179.185 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.482 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 18.1 t-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.497 0.719 . . . . 0.0 110.107 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.492 ' HB1' ' HG2' ' A' ' 4' ' ' LYS . . . -155.84 -87.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.183 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 m 56.71 33.04 22.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.127 0.965 . . . . 0.0 109.815 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 22.2 pttp -104.78 -41.33 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.749 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.2 tp -86.41 -34.17 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.49 . . . . 0.0 109.72 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.86 117.19 33.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.074 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.4 t80 -173.9 -90.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 173.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.709 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 40.8 mt-10 -132.82 -72.1 0.52 Allowed 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.2 t70 51.88 44.98 28.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -167.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -72.77 63.98 0.64 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 123.217 1.485 . . . . 0.0 112.228 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -50.98 -49.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 111.595 -2.548 . . . . 0.0 111.313 171.397 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.642 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -54.02 142.58 24.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 174.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -106.49 -46.98 3.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.034 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.834 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -72.12 -7.78 50.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.276 -177.247 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.655 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -45.28 -47.16 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.15 171.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.605 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 16.8 t70 -116.03 19.27 15.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.378 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.834 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.1 t70 -54.36 -34.76 61.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 -172.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.723 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.3 t70 73.67 -25.4 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.459 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' C ' HD13 ' A' ' 148' ' ' LEU . 14.5 ptmm? -120.7 173.27 7.3 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 123.404 0.682 . . . . 0.0 111.07 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.659 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.9 tp -79.08 138.09 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.541 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.1 -168.34 1.55 Allowed 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 121.767 0.794 . . . . 0.0 111.392 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.591 ' HB3' ' HB2' ' A' ' 25' ' ' SER . 34.7 t -71.77 156.73 39.0 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.494 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 137' ' ' ILE . 96.9 mtt180 -58.05 -37.2 73.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.402 1.096 . . . . 0.0 109.064 169.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.04 -3.21 34.56 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.408 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 5.5 t -104.83 -21.5 13.33 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.846 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 23.4 mm -80.46 -5.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.664 1.221 . . . . 0.0 107.883 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 -56.3 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 112.884 -1.962 . . . . 0.0 109.83 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 98.9 m-20 -72.96 -31.88 64.85 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-O 122.319 1.057 . . . . 0.0 108.401 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 53' ' ' LEU . 28.6 tp -50.22 -49.52 52.56 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.846 -174.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 128' ' ' ILE . 3.8 mm -60.15 -34.5 57.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.8 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.545 ' HA ' HG21 ' A' ' 128' ' ' ILE . 18.3 t70 -70.95 -44.56 65.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.2 mm-40 -59.04 -51.94 67.89 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.777 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 83.5 t80 -60.6 -55.76 29.44 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.194 0.521 . . . . 0.0 111.186 -176.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.7 -30.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.903 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 96.2 m -76.94 -40.18 47.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.8 t90 -67.12 -39.07 86.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.283 -178.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -58.04 -23.72 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.182 0.515 . . . . 0.0 109.905 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 35' ' ' THR . 26.2 t-20 -85.24 -42.78 14.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.144 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.635 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 3.3 m-70 -54.45 -31.83 56.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 14.1 t -69.0 -18.54 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 122.055 0.931 . . . . 0.0 109.567 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.4 mm -96.63 -63.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.41 -1.268 . . . . 0.0 112.259 -176.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -52.21 -51.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.232 -178.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -90.42 -7.46 53.09 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.61 -177.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 64.7 t30 48.13 54.16 10.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.576 -174.093 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 8' ' ' GLU . 58.2 mtpt -75.85 -142.03 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.025 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 6.7 m-20 -130.07 133.83 46.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 -177.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.7 tp -73.27 -29.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.043 0.925 . . . . 0.0 110.401 176.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -76.99 -17.08 59.11 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.861 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.709 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 40.2 t -84.43 82.89 8.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.13 -1.85 . . . . 0.0 110.357 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.9 p -174.74 -169.45 0.42 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.605 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.35 -165.75 22.85 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.863 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.723 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 55.8 mtt180 -73.43 -44.15 58.85 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.473 0.654 . . . . 0.0 111.429 -172.173 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -51.36 -44.42 62.07 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.599 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.655 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.5 m-85 -69.77 -33.22 72.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 66.8 mmtt -59.93 -34.51 73.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.184 0.516 . . . . 0.0 109.839 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -72.14 -38.88 69.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.665 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -58.38 -37.82 76.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.394 174.14 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.634 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 48.5 mtt -58.84 -34.93 72.13 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.716 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -67.32 -15.61 63.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.739 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.632 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.03 -15.84 58.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.913 0.863 . . . . 0.0 109.536 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.6 t70 -69.29 -40.1 77.91 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 172.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 65' ' ' ILE . 24.4 t70 -76.03 -40.55 53.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 112.426 -2.17 . . . . 0.0 110.335 -173.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -63.82 -34.32 67.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.773 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.69 60.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.139 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.667 HG23 ' HB ' ' A' ' 70' ' ' ILE . 55.0 mt -56.47 -37.78 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.795 0.807 . . . . 0.0 110.162 171.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -69.38 -44.03 72.34 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.47 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.413 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -80.76 -69.35 0.61 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.565 -175.012 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.17 -41.65 66.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.391 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.592 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.85 138.52 8.37 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.319 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.3 tp -57.15 -43.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 114.478 -0.861 . . . . 0.0 110.019 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.86 -52.07 63.95 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.494 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.784 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.88 -42.27 94.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 39.1 mt -59.09 -46.63 91.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.6 -48.18 69.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.98 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.68 -35.22 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.917 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.571 ' O ' ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -71.53 -52.73 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.726 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.98 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.51 -53.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.508 0.671 . . . . 0.0 111.823 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 77' ' ' VAL . 27.3 mt-10 -58.38 -37.8 76.0 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.465 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -59.08 -51.3 70.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.637 ' HE3' HD11 ' A' ' 87' ' ' ILE . 9.5 mmt -47.72 -34.72 8.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.253 175.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.589 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m -73.2 -21.65 60.62 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.915 -173.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.62 -5.15 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.331 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.03 30.5 55.46 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.692 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 26.7 t70 -149.11 132.98 17.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.411 ' HB2' HD13 ' A' ' 87' ' ' ILE . 19.1 p80 -154.27 -168.68 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.259 0.552 . . . . 0.0 112.145 -175.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HB2' ' H ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -120.85 -80.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.332 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.637 HD11 ' HE3' ' A' ' 80' ' ' MET . 1.6 mp 70.41 117.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 122.093 0.949 . . . . 0.0 113.516 171.559 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -136.21 114.61 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.392 -1.277 . . . . 0.0 107.821 168.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -88.37 133.93 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.409 0.623 . . . . 0.0 112.431 -169.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -103.62 86.0 2.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.584 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -80.69 -80.46 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.099 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.51 25.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -82.76 -54.88 4.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -161.81 159.45 27.0 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.297 0.57 . . . . 0.0 111.058 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.546 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.9 tt0 -60.14 -37.02 78.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.054 177.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.2 tt0 -58.62 -35.38 72.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.293 0.568 . . . . 0.0 110.027 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 t -80.19 -34.01 37.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.59 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 95' ' ' GLN . 71.3 mt -54.9 -54.01 48.07 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.112 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.468 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 12.8 m-30 -65.54 -38.71 90.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.73 -33.18 68.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.464 HG22 ' HG ' ' A' ' 131' ' ' LEU . 45.1 m -66.02 -34.05 77.2 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.895 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.431 HG13 HD21 ' A' ' 131' ' ' LEU . 2.0 mp -71.85 -53.83 18.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.455 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.87 -40.32 99.11 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.97 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -57.95 -40.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.4 t -72.33 -28.78 63.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.45 -37.54 71.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.269 0.556 . . . . 0.0 109.939 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -68.68 -28.75 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.145 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.98 ' HA ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt -76.9 -52.48 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.5 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.2 t -58.12 -31.44 67.17 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.319 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 41' ' ' ILE . 6.0 pt-20 -72.51 -39.22 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.4 -34.54 58.12 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 111.279 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.509 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 42.6 m0 -71.29 -17.8 62.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.022 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -64.65 -47.1 87.25 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.207 -0.521 . . . . 0.0 113.921 -170.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.483 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.3 m-85 -50.45 -61.19 2.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -170.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HG3' HG12 ' A' ' 117' ' ' ILE . 18.9 ptpt -110.88 9.54 22.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.54 -175.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 63.27 78.36 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.507 0.67 . . . . 0.0 110.088 -175.403 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 81' ' ' SER . 9.5 mt -97.14 157.46 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.47 -174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 p 74.75 132.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.582 1.153 . . . . 0.0 111.716 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -125.26 -41.31 2.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.492 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.8 t -81.4 75.66 8.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.373 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -93.56 102.61 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.97 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 123.2 24.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 105.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.29 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.2 mt 62.92 24.09 14.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.036 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.4 28.94 1.92 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.483 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.607 ' HB3' ' HB2' ' A' ' 130' ' ' ASP . 23.8 t-20 -69.32 143.72 53.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 30' ' ' ILE . 62.9 mt -48.83 -60.27 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 O-C-N 123.424 0.452 . . . . 0.0 112.161 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.2 p -70.19 -24.24 63.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 127' ' ' ASN . 1.1 m-20 -79.4 -4.09 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.75 -176.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.12 -11.02 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.787 0.803 . . . . 0.0 109.722 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.52 ' HG2' HG13 ' A' ' 30' ' ' ILE . 3.9 ppp? -139.99 -177.43 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.906 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 137' ' ' ILE . 38.1 p -132.99 154.1 50.83 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.764 -169.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.79 ' HA ' HD13 ' A' ' 137' ' ' ILE . 9.9 t70 -48.27 -32.3 7.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.683 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.32 -32.51 71.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.392 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.462 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 11.2 t-20 -78.21 -29.67 48.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -57.24 -39.01 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.545 178.216 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.532 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.8 m-80 -65.9 -43.61 87.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.924 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.03 -41.69 92.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.648 0.737 . . . . 0.0 109.04 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.02 -51.56 63.61 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.817 -176.586 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.615 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.5 mm -51.05 -45.82 30.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-O 121.292 0.568 . . . . 0.0 109.476 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -65.75 -49.05 69.8 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.13 -176.428 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 76.8 t80 -55.93 -46.5 78.47 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.152 0.977 . . . . 0.0 110.273 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.729 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 39.1 mt -68.13 -45.86 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.057 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.4 mt-10 -53.18 -24.27 10.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 124.138 0.899 . . . . 0.0 112.773 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 71.8 mmtt -47.9 -38.87 17.38 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.665 171.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -119.76 -15.75 8.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.151 0.977 . . . . 0.0 110.21 176.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.729 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -94.19 175.5 6.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.734 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 25.8 t-20 . . . . . 0 C--O 1.249 1.058 0 O-C-N 125.148 1.53 . . . . 0.0 108.763 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.626 0.25 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.91 99.99 6.67 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 m -127.38 92.75 3.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.175 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -137.07 91.06 2.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -138.57 3.57 2.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.663 0.744 . . . . 0.0 109.172 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.725 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . 4.3 p-10 -144.27 -160.36 1.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.113 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' H ' ' HE3' ' A' ' 45' ' ' LYS . 71.5 t80 67.64 12.48 8.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.639 0.733 . . . . 0.0 110.69 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -83.64 -57.66 3.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 122.007 0.908 . . . . 0.0 109.625 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' HG12 ' A' ' 11' ' ' VAL . 9.9 p-10 -72.25 -0.79 13.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.757 -1.565 . . . . 0.0 111.026 177.424 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.85 91.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.467 1.127 . . . . 0.0 111.131 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -89.97 -40.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.986 -176.443 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.781 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.51 140.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.094 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -106.46 -44.08 4.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.862 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.29 -4.67 51.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.292 -177.588 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 p -41.25 -48.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.031 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 27.0 t70 -116.03 20.2 14.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.157 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 17.9 t70 -51.14 -38.54 52.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.18 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.831 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 26.7 t70 73.38 -18.98 0.35 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.201 172.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.7 pttp -121.17 172.22 8.14 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.694 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 9.7 tp -78.39 135.39 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.5 m -104.12 -169.71 1.67 Allowed 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 121.647 0.737 . . . . 0.0 111.822 -175.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -74.03 163.9 27.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.323 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' HD2' HD22 ' A' ' 138' ' ' ASN . 18.2 mtp180 -51.68 -44.44 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.736 0.779 . . . . 0.0 109.141 167.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.02 -8.02 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.047 -171.674 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.5 -29.84 15.33 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.197 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.6 mm -74.22 -17.41 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-O 122.437 1.113 . . . . 0.0 108.506 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' ARG . 47.9 mm -64.93 -55.89 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.065 -1.879 . . . . 0.0 109.604 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.67 64.88 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.718 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 53' ' ' LEU . 22.3 tp -51.1 -51.59 51.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.264 -2.243 . . . . 0.0 113.45 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.844 HG22 HD13 ' A' ' 128' ' ' ILE . 3.9 mm -61.14 -32.63 53.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -174.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.53 -41.97 68.51 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.781 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.2 mm-40 -58.44 -50.49 73.52 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 176.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.78 -48.78 65.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.703 0.764 . . . . 0.0 110.76 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.874 HG13 HG21 ' A' ' 128' ' ' ILE . 30.2 mm -58.82 -34.04 51.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.505 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -77.7 -31.28 52.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.39 0.614 . . . . 0.0 110.523 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.3 t90 -68.2 -41.49 81.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.776 HH22 ' HB2' ' A' ' 61' ' ' ASP . 12.7 mmt85 -50.78 -31.87 18.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.339 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 27.0 t-20 -81.81 -44.02 17.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.466 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.524 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 38.1 m170 -61.8 -33.53 74.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.787 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 t -59.36 -28.77 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.898 0.856 . . . . 0.0 110.134 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 114' ' ' TYR . 27.0 mm -85.84 -63.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.219 -174.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -47.47 -51.67 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.939 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 4.9 m-85 -93.93 -8.0 41.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.22 -173.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.9 t-20 56.21 55.39 6.78 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.724 -171.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 63.3 mttp -73.61 -139.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.505 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -135.83 146.07 47.12 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 177.004 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.2 tp -82.86 -27.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.257 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 p -83.78 -13.14 54.59 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.135 0.969 . . . . 0.0 108.556 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.1 t -82.43 82.52 7.84 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.571 -1.649 . . . . 0.0 110.706 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.6 p -171.86 -171.42 0.88 Allowed 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.586 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -106.55 -166.04 22.67 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.845 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.831 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 8.7 mmt180 -70.99 -41.95 70.27 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.103 0.561 . . . . 0.0 111.674 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 29' ' ' LEU . 3.2 tt -51.94 -48.1 64.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.239 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 3.0 m-30 -68.18 -39.07 82.61 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 68.6 mmtt -50.91 -37.41 43.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.691 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.6 tp10 -72.25 -39.91 68.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -55.77 -37.0 67.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.826 172.619 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.527 ' HA ' HH21 ' A' ' 37' ' ' ARG . 48.9 mtt -58.55 -34.46 71.05 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.883 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 55.8 mttt -70.09 -15.21 62.95 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.5 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.624 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -78.07 -14.37 59.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.945 0.879 . . . . 0.0 109.759 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.776 ' HB2' HH22 ' A' ' 37' ' ' ARG . 8.0 t70 -68.26 -40.65 81.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 171.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 65' ' ' ILE . 9.5 t70 -74.89 -43.05 56.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.27 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.2 p -60.9 -35.41 64.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.143 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.2 -43.78 60.78 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.218 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.3 mt -56.51 -34.87 42.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.487 0.661 . . . . 0.0 110.481 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -71.65 -42.43 67.57 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 -73.05 0.37 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.62 -173.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.92 -39.22 76.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.623 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 107.31 144.83 11.72 Favored Glycine 0 N--CA 1.425 -2.049 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.935 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -58.34 -44.76 89.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.888 -177.067 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.6 t70 -56.69 -53.51 56.87 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.143 0.497 . . . . 0.0 111.46 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.93 -41.74 95.26 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.74 -177.787 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 20.3 mt -59.55 -47.76 89.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.44 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -55.64 -46.13 77.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.958 179.153 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 14.2 mt-10 -71.15 -39.42 71.96 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.811 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.786 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -67.72 -51.9 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.387 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.1 -51.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.639 0.733 . . . . 0.0 111.03 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.9 mt-10 -56.43 -40.15 74.26 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.159 -1.382 . . . . 0.0 112.341 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.36 73.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.376 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.786 ' HE3' HG23 ' A' ' 76' ' ' ILE . 10.3 mmt -45.63 -34.5 3.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.171 0.51 . . . . 0.0 111.206 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.684 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m -77.53 -19.11 56.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.729 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.11 -23.0 26.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.741 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.53 11.72 53.0 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.193 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -136.4 124.66 23.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -162.35 -177.32 5.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.278 0.561 . . . . 0.0 111.846 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' O ' ' HB ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -124.52 -100.32 0.4 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.262 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 86' ' ' TYR . 1.6 mp 74.7 137.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.36 0.6 . . . . 0.0 111.703 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -112.97 148.02 35.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -88.59 102.44 14.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.006 0.431 . . . . 0.0 111.209 -174.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.8 p -81.33 120.14 24.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -131.84 -65.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.684 0.754 . . . . 0.0 110.071 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.84 50.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.694 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -120.46 -84.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.54 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -156.52 164.85 37.74 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.548 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.7 tt0 -56.94 -33.53 67.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 173.355 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.36 -34.46 76.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -34.81 64.05 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 95' ' ' GLN . 91.9 mt -62.66 -44.09 97.14 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.847 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.7 m-30 -70.66 -38.7 73.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 111.577 174.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.5 -34.51 69.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.335 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.444 ' O ' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -68.56 -26.0 65.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -177.053 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.15 -54.71 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.293 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -65.56 -38.64 94.93 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.814 -175.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -58.73 -43.34 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.649 ' HA ' HD12 ' A' ' 108' ' ' ILE . 34.6 t -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -71.35 -37.95 71.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -64.26 -36.89 85.56 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.429 0.633 . . . . 0.0 110.506 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.876 ' HA ' HG23 ' A' ' 77' ' ' VAL . 40.2 mt -66.37 -50.13 70.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.79 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.3 t -63.8 -35.45 80.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.022 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 38' ' ' ASN . 14.6 pt-20 -74.95 -34.92 62.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.448 -177.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -54.45 -45.41 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 110.704 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.57 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.2 m0 -59.97 -18.86 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -55.65 -58.29 14.69 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 114.27 0.468 . . . . 0.0 114.27 -172.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' A' ' 41' ' ' ILE . 34.5 m-85 -55.2 -48.22 74.17 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -164.467 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HG3' HG12 ' A' ' 117' ' ' ILE . 9.0 ptmm? -112.32 7.67 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.871 -0.732 . . . . 0.0 112.389 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 59.58 81.96 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 -173.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.684 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.9 mt -99.78 158.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.316 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 119' ' ' GLU . 8.6 t 84.05 0.03 0.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.669 172.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 118' ' ' SER . 44.2 tt0 72.83 -41.74 0.51 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.935 0.494 . . . . 0.0 112.187 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -70.63 80.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.318 0.58 . . . . 0.0 110.995 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 121' ' ' ARG . 33.2 mtm180 -82.02 78.73 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.065 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 67.1 1.41 2.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.628 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.62 -36.21 82.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 14.2 m -91.54 5.41 49.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.993 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 124' ' ' SER . 9.5 mp 69.0 -63.84 0.35 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.472 0.709 . . . . 0.0 111.311 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.53 -36.61 1.0 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.622 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 60.63 33.05 20.41 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.362 0.601 . . . . 0.0 111.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.874 HG21 HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -74.13 -32.34 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.428 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.564 ' H ' HD12 ' A' ' 128' ' ' ILE . 4.1 p -67.78 -24.24 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.351 0.596 . . . . 0.0 110.057 174.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.85 -24.62 44.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.67 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -84.24 -23.93 30.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.363 0.601 . . . . 0.0 109.987 -178.271 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.666 ' SD ' HG13 ' A' ' 30' ' ' ILE . 24.5 ptm -100.73 -176.73 3.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.24 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 137' ' ' ILE . 11.3 p -114.25 -177.18 3.07 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.751 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.5 p-10 -83.54 -30.1 27.35 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.491 ' O ' HD12 ' A' ' 139' ' ' ILE . 34.7 t70 -75.02 -19.4 60.07 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.565 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 19.3 t-20 -75.18 -29.73 60.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.751 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mp -59.33 -41.3 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.869 175.097 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.495 ' O ' HD13 ' A' ' 142' ' ' LEU . 16.3 m120 -69.39 -44.42 71.49 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.991 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.6 mt -61.04 -39.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.618 0.723 . . . . 0.0 109.541 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.96 -51.76 65.65 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.712 -178.89 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.559 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.8 mm -51.39 -45.97 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -65.98 -49.46 67.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.19 -175.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.11 -46.05 86.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.042 0.925 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 56' ' ' GLU . 63.2 mt -67.36 -40.74 85.82 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 25.8 mt-10 -51.39 -30.49 19.22 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.914 0.758 . . . . 0.0 112.075 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.502 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 30.6 mtpt -56.21 -35.94 67.87 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.357 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -117.06 -13.41 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.895 0.855 . . . . 0.0 109.894 -178.374 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.694 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -94.22 174.99 6.87 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 113.647 -1.615 . . . . 0.0 110.53 179.366 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 55.1 t30 . . . . . 0 C--O 1.249 1.073 0 O-C-N 123.758 0.661 . . . . 0.0 110.185 -172.072 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.782 0.325 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.1 77.5 5.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.813 0.339 . . . . 0.0 111.123 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.0 m 68.2 -79.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.453 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.949 ' HD2' ' HA ' ' A' ' 43' ' ' PHE . 5.7 ttmm -172.14 147.55 2.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.844 HD12 ' H ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -153.85 -61.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.702 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.844 ' H ' HD12 ' A' ' 5' ' ' LEU . 4.3 m-20 -103.91 65.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 96.9 m-85 -136.63 129.49 30.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.259 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -101.28 -68.38 0.82 Allowed 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -174.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.53 ' O ' HG12 ' A' ' 11' ' ' VAL . 41.2 t0 49.59 48.04 21.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.516 1.135 . . . . 0.0 109.417 -172.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -71.96 62.64 0.45 Allowed 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.11 -1.405 . . . . 0.0 111.824 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -48.82 -44.82 15.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.535 172.611 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.72 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.83 147.21 9.31 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.685 0.755 . . . . 0.0 112.49 176.093 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -113.25 -42.9 3.43 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.275 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -84.88 -5.78 59.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.982 -178.282 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.676 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -40.79 -49.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.326 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 25.2 t70 -115.74 19.94 14.91 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.645 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.6 t0 -53.19 -33.39 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.749 -172.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.65 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.1 t70 72.6 -25.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.047 0.842 . . . . 0.0 111.648 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.4 pttm -121.56 171.89 8.49 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.226 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD11 ' HA ' ' A' ' 141' ' ' ILE . 7.0 tp -80.74 139.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.03 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.04 -170.13 1.84 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 121.594 0.711 . . . . 0.0 111.646 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' HG12 ' A' ' 26' ' ' ILE . 34.1 t -73.22 163.11 28.58 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.468 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.3 mtm180 -56.45 -40.84 75.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.074 0.94 . . . . 0.0 109.29 168.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.02 -5.57 39.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.843 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.2 t -100.61 -25.95 13.99 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.588 -173.19 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.595 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 21.9 mm -79.96 -9.75 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 137' ' ' ILE . 38.8 mm -67.7 -56.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.115 -1.857 . . . . 0.0 109.483 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.72 -32.18 63.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.678 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 53' ' ' LEU . 21.1 tp -50.99 -50.1 58.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.053 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.562 HG22 HG22 ' A' ' 128' ' ' ILE . 3.6 mm -58.9 -35.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.992 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.811 ' HA ' HG21 ' A' ' 128' ' ' ILE . 36.6 t70 -70.35 -42.47 71.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.571 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.72 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.5 mt-10 -58.65 -50.99 71.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.391 0.139 . . . . 0.0 111.103 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -64.45 -55.95 17.45 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.007 0.432 . . . . 0.0 111.793 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG23 HG21 ' A' ' 109' ' ' THR . 46.7 mm -57.41 -29.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.07 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.7 m -76.58 -36.94 57.27 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.385 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.5 t90 -67.24 -38.96 86.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.674 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.54 -30.22 29.48 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -82.09 -47.36 12.67 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 1.9 m80 -52.08 -41.89 62.76 Favored 'General case' 0 CA--C 1.527 0.06 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.9 t -57.59 -26.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 122.078 0.942 . . . . 0.0 110.255 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG23 ' CE1' ' A' ' 114' ' ' TYR . 22.4 mm -90.49 -62.91 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 CA-C-N 114.526 -1.216 . . . . 0.0 112.354 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.76 -51.1 29.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.139 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.949 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 2.7 m-85 -87.4 -11.23 49.85 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.343 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 14.6 t-20 54.9 46.18 24.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.51 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 22.9 mtpp -72.46 -141.5 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.934 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 18.8 m-20 -133.03 138.21 46.71 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.332 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.2 tp -80.3 -27.76 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.437 1.113 . . . . 0.0 110.038 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.2 p -78.59 -16.44 57.4 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.574 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.54 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.7 t -89.44 82.89 6.38 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.222 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 p -169.65 -169.23 0.88 Allowed 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.813 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.564 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.34 -167.63 22.9 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.65 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 50.5 mtt180 -67.69 -47.04 70.54 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.454 0.645 . . . . 0.0 111.303 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 29' ' ' LEU . 5.3 tt -51.25 -44.69 61.81 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.871 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-30 -69.9 -31.91 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 60.0 mmtt -62.08 -32.58 73.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.43 0.633 . . . . 0.0 109.761 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 79.4 mm-40 -71.23 -41.43 70.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.896 -177.07 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -55.41 -37.09 67.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.739 173.106 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.9 mtt -59.32 -31.89 69.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.137 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 53.6 mttt -74.74 -12.89 60.52 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.944 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -80.98 -14.54 57.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.026 0.917 . . . . 0.0 109.371 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.674 ' HB2' HH22 ' A' ' 37' ' ' ARG . 7.9 t70 -66.63 -41.05 88.93 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 65' ' ' ILE . 10.2 t70 -75.27 -42.8 54.21 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.502 -2.136 . . . . 0.0 110.308 -173.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.4 p -60.71 -34.94 60.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.094 -1.412 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.96 61.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.244 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 62' ' ' ASP . 56.7 mt -58.46 -35.6 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.759 0.79 . . . . 0.0 110.459 171.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -70.92 -39.37 72.75 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -74.19 0.38 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.32 -175.433 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -71.64 -40.38 69.76 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.183 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.605 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 106.47 139.9 9.64 Favored Glycine 0 N--CA 1.43 -1.741 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.059 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.0 tp -57.04 -44.14 82.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.951 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -51.46 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.777 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.576 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -65.96 -40.41 91.27 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.112 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.794 HG12 HD13 ' A' ' 104' ' ' ILE . 43.8 mt -57.32 -47.37 84.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.057 0.456 . . . . 0.0 110.357 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -53.47 -46.85 70.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.939 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.57 -37.32 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.708 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.94 -53.9 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.629 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.816 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -53.94 -51.07 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.75 0.786 . . . . 0.0 111.613 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 41.6 mt-10 -59.12 -39.64 82.95 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.408 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -58.77 -47.44 84.68 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.044 0.45 . . . . 0.0 110.486 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.708 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.1 mmt -48.9 -36.53 17.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.188 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.562 ' HB2' HG21 ' A' ' 117' ' ' ILE . 83.2 p -68.48 -24.75 64.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 110.449 -170.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.847 ' HA ' ' HB3' ' A' ' 119' ' ' GLU . 46.4 mt-10 -102.44 4.54 38.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.596 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.837 ' HA3' ' HA ' ' A' ' 120' ' ' SER . . . 63.63 37.47 94.79 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.968 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 34.9 t70 -148.43 110.44 4.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.544 ' ND1' HD13 ' A' ' 87' ' ' ILE . 24.5 p80 -149.14 -167.58 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 0.0 111.859 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.52 ' HD1' ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -123.44 -74.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.098 -175.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 ' ND1' ' A' ' 85' ' ' HIS . 1.5 mp 73.33 127.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.44 0.638 . . . . 0.0 111.348 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -124.03 -174.38 2.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.132 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -89.67 161.54 16.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.34 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 34.3 p -87.4 -5.29 58.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.349 -175.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' THR . 65.4 tttp 73.72 -75.06 0.08 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.118 0.886 . . . . 0.0 109.695 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.55 158.67 3.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.85 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -107.78 55.72 0.64 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 2.3 t70 -98.43 165.06 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.144 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.5 tt0 -55.08 -39.02 68.82 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.52 -40.96 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.719 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -70.3 -36.21 74.19 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.467 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.0 mt -57.35 -54.21 49.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.205 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 11.4 m-30 -65.61 -38.96 90.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.917 0.389 . . . . 0.0 111.305 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.66 -32.82 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.481 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.542 ' O ' HD11 ' A' ' 131' ' ' LEU . 48.6 m -67.13 -32.25 73.24 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.78 -53.72 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.381 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.51 95.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.83 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.794 HD13 HG12 ' A' ' 73' ' ' ILE . 5.9 tp -59.61 -39.19 78.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.066 0.46 . . . . 0.0 109.839 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.556 ' HA ' HD12 ' A' ' 108' ' ' ILE . 42.2 t -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.43 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.7 -35.57 75.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 111.039 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' A' ' 61' ' ' ASP . 24.1 mttm -73.99 -27.91 61.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.569 . . . . 0.0 111.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.816 ' HA ' HG23 ' A' ' 77' ' ' VAL . 51.8 mt -68.64 -47.54 76.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.897 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.412 HG21 HG23 ' A' ' 34' ' ' ILE . 7.3 t -66.0 -36.32 82.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.355 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 41' ' ' ILE . 10.1 pt-20 -70.79 -44.82 65.82 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -50.83 -36.09 35.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.93 0.492 . . . . 0.0 111.99 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 49.2 m0 -71.96 -19.37 61.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.7 98.34 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.171 -0.537 . . . . 0.0 114.115 -168.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.502 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.7 m-85 -51.51 -61.35 2.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.085 0.442 . . . . 0.0 112.129 -170.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -111.6 15.74 20.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.618 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.3 71.8 0.54 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.421 0.629 . . . . 0.0 110.849 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 118' ' ' SER . 17.5 mt -85.47 144.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.266 -175.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 15.9 t 167.83 83.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.145 0.903 . . . . 0.0 110.007 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.847 ' HB3' ' HA ' ' A' ' 82' ' ' GLU . 13.6 tp10 -70.81 -42.13 70.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.837 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 6.1 t 53.26 69.87 0.65 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.889 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.62 -60.33 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.89 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -169.27 -27.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 0.0 110.399 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.64 58.61 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.333 0.587 . . . . 0.0 110.695 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.5 t -88.09 81.82 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.961 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.68 125.96 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 142.12 98.12 0.3 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -105.51 164.69 11.69 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' A' ' 31' ' ' ASP . 58.7 mt -71.81 -73.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 31' ' ' ASP . 1.3 p -61.89 -29.48 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.45 -6.51 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -91.17 -9.17 46.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.972 0.415 . . . . 0.0 111.516 -173.567 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.654 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? -145.83 172.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.0 p -126.28 155.49 41.84 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -168.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.95 ' HA ' HD13 ' A' ' 137' ' ' ILE . 6.9 t70 -48.62 -31.08 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.781 0.676 . . . . 0.0 111.069 169.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.0 -29.56 64.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.654 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 10.5 t-20 -78.25 -27.59 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.95 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.8 -37.23 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.711 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.518 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.8 m-80 -63.65 -44.55 93.5 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.453 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.44 -43.37 96.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.371 -0.832 . . . . 0.0 108.8 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.7 -52.16 64.37 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.185 -1.371 . . . . 0.0 110.843 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.665 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.3 mm -51.68 -43.68 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 109.899 176.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.15 -48.72 67.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.648 -175.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 73.0 t80 -56.51 -47.72 78.71 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.199 1.0 . . . . 0.0 110.312 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 39.9 mt -67.1 -42.42 84.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.335 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 148' ' ' LEU . 14.7 mt-10 -55.23 -24.4 27.37 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 124.092 0.87 . . . . 0.0 112.525 -176.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 6.4 mmmm -47.74 -39.05 16.72 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.271 170.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -118.47 -11.46 9.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.795 0.807 . . . . 0.0 110.319 176.488 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -102.1 174.64 5.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.13 -1.395 . . . . 0.0 112.411 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 18.2 t-20 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 113.739 -1.573 . . . . 0.0 108.727 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.971 0.415 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.87 103.28 15.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.181 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -79.92 64.87 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.344 0.592 . . . . 0.0 110.477 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -147.16 24.86 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.367 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 10.2 mp -110.56 -157.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.662 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' A' ' 5' ' ' LEU . 4.8 m-20 62.2 73.54 0.46 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.44 0.638 . . . . 0.0 109.863 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 43' ' ' PHE . 73.9 m-85 -92.83 121.1 33.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.426 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 32.8 mt-10 -131.15 -78.32 0.52 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.346 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.6 m-20 52.36 32.68 11.5 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.404 -173.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.53 73.61 2.55 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 122.988 1.375 . . . . 0.0 111.312 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -65.79 -43.76 93.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-N 111.597 -2.547 . . . . 0.0 111.534 175.82 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.71 141.61 16.43 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.736 0.779 . . . . 0.0 112.706 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -104.13 -42.31 5.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.524 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.939 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.02 -10.54 59.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.36 -177.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.7 p -47.25 -48.43 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.032 175.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 26.8 t70 -115.55 20.57 14.63 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.391 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.939 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 37.2 t0 -49.62 -40.76 40.31 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.069 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.664 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 8.3 t70 74.45 -19.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.956 -1.475 . . . . 0.0 111.522 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' C ' HD13 ' A' ' 148' ' ' LEU . 60.5 pttt -125.93 170.81 11.31 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.84 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.752 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 4.9 tp -86.51 138.63 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.145 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -162.51 0.81 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.234 0.54 . . . . 0.0 111.544 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.12 162.8 18.89 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.481 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.3 mtt180 -59.26 -38.81 81.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.168 0.985 . . . . 0.0 108.919 169.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HA ' HG13 ' A' ' 27' ' ' ILE . 22.4 t70 -72.26 -4.68 31.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.943 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.73 -28.27 16.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -176.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' A' ' 137' ' ' ILE . 22.1 mm -78.37 -8.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.626 1.203 . . . . 0.0 108.041 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.441 HG13 ' HA ' ' A' ' 24' ' ' ASP . 45.2 mm -72.2 -56.01 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.954 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 m-20 -72.59 -31.62 65.35 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 122.513 1.149 . . . . 0.0 108.441 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 53' ' ' LEU . 33.7 tp -51.03 -50.16 59.13 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 112.544 -2.116 . . . . 0.0 112.952 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.86 -35.04 49.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.5 -47.42 60.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 4.2 mm-40 -58.51 -51.42 69.96 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.545 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 77.0 t80 -60.75 -56.7 18.06 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.628 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.36 -33.7 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 79.1 m -75.69 -35.94 60.17 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 111.019 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 73.6 t90 -67.26 -39.8 86.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.994 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 37' ' ' ARG . 16.9 mmm180 -58.97 -20.85 56.41 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.995 0.426 . . . . 0.0 110.247 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.5 t-20 -85.23 -46.09 11.37 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.264 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.714 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 11.6 m170 -52.57 -39.82 61.94 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 16.7 t -59.09 -24.05 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.732 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 110' ' ' GLU . 20.5 mm -93.36 -65.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.77 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -48.15 50.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.117 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.598 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 2.5 m-85 -89.6 -10.05 47.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.454 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 63.5 t30 53.0 50.88 16.95 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.317 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.714 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 57.3 mtpt -75.34 -136.97 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.783 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -135.44 149.63 49.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.429 0.633 . . . . 0.0 110.723 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.8 tp -79.75 -29.8 13.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.403 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 p -79.93 -15.32 57.54 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.828 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -74.74 82.19 2.09 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.13 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p 178.1 -173.47 0.14 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.422 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.556 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -115.26 -166.74 15.1 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.303 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.664 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.0 mmt180 -63.21 -47.44 82.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.254 0.622 . . . . 0.0 111.597 -171.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 29' ' ' LEU . 6.3 tt -52.34 -47.64 65.95 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.919 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.632 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.0 m-85 -67.51 -32.62 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -174.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 55.4 mmtt -60.45 -35.11 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -72.5 -37.19 68.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.843 -176.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -55.69 -38.26 69.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 173.915 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 41.6 mtt -59.39 -34.6 72.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.863 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 47.6 mttt -73.31 -11.25 60.43 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.751 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -76.92 -13.51 59.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.107 0.956 . . . . 0.0 109.316 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' HG13 ' A' ' 65' ' ' ILE . 5.9 t70 -69.01 -39.56 79.23 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.788 171.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.854 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.2 t70 -75.42 -43.72 48.37 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.711 -2.04 . . . . 0.0 110.69 -173.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.8 p -60.05 -34.43 56.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.032 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.6 64.09 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.966 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 62' ' ' ASP . 53.4 mt -57.66 -35.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.151 0.501 . . . . 0.0 110.497 172.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -68.07 -49.32 62.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.46 0.648 . . . . 0.0 110.081 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -70.23 0.43 Allowed 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.66 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 49.9 m-85 -71.74 -37.26 70.58 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.202 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 100.17 142.46 13.09 Favored Glycine 0 N--CA 1.431 -1.694 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.773 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -43.03 58.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 124.177 0.575 . . . . 0.0 109.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.86 -52.96 63.07 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.106 0.479 . . . . 0.0 111.197 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.818 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -78.61 -2.5 39.26 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.636 -176.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.676 HG12 HD13 ' A' ' 104' ' ' ILE . 12.6 mt -90.4 -48.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 168.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -54.69 -47.74 73.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.619 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.28 -42.19 99.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.111 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.952 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -72.7 -53.5 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.477 -175.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -53.22 -52.38 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.76 0.79 . . . . 0.0 111.626 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 77' ' ' VAL . 34.8 mt-10 -59.83 -39.63 85.72 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.432 -1.258 . . . . 0.0 112.328 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.54 96.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.945 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.952 ' HE3' HG23 ' A' ' 76' ' ' ILE . 18.4 mmt -42.68 -41.25 3.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.328 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.656 ' HB2' ' CG2' ' A' ' 117' ' ' ILE . 71.2 p -69.35 -10.83 59.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.367 -170.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -92.22 -5.15 53.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.8 76.71 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.98 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.71 -76.29 0.57 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 80' ' ' MET . 32.4 p80 44.22 -158.26 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 169.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.6 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -175.73 155.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.276 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 86' ' ' TYR . 7.1 mm -148.49 131.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -82.41 118.72 23.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.742 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -67.77 163.38 21.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 p -65.6 115.62 5.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.73 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.18 -68.9 0.21 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.592 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.9 m -103.04 135.93 38.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.203 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -86.07 70.38 10.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.541 . . . . 0.0 110.3 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.6 m-20 -110.43 160.58 16.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.931 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.0 tt0 -49.0 -42.61 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.12 -40.1 92.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.847 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -37.9 76.35 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.047 0.451 . . . . 0.0 109.837 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 95' ' ' GLN . 92.5 mt -58.76 -54.14 50.5 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.337 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.1 m-30 -62.76 -39.78 95.25 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -33.52 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.838 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.513 HG22 ' HG ' ' A' ' 131' ' ' LEU . 57.2 m -67.77 -33.16 74.29 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 131' ' ' LEU . 2.0 mp -71.38 -54.84 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.348 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -64.07 -40.48 98.18 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.857 -0.687 . . . . 0.0 114.123 -174.281 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.676 HD13 HG12 ' A' ' 73' ' ' ILE . 6.3 tp -57.93 -41.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 109.93 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.817 ' HA ' HD12 ' A' ' 108' ' ' ILE . 74.8 m -73.91 -25.52 60.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.321 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.43 -35.24 73.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.332 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 9.0 mmtm -63.04 -30.26 71.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.453 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 105' ' ' CYS . 57.8 mt -75.71 -47.88 31.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.286 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.9 t -63.05 -36.62 84.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.069 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.54 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.6 pt-20 -71.89 -42.58 66.62 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.147 -0.346 . . . . 0.0 111.892 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -55.85 -33.06 64.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.833 0.349 . . . . 0.0 111.741 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -71.24 -19.85 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.9 79.0 Favored Glycine 0 C--O 1.225 -0.419 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.978 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.9 m-85 -52.85 -58.77 5.82 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -170.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.447 ' HG3' HG12 ' A' ' 117' ' ' ILE . 23.7 pttm -112.24 12.48 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 61.59 80.33 0.22 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.312 0.577 . . . . 0.0 110.957 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.656 ' CG2' ' HB2' ' A' ' 81' ' ' SER . 3.5 mt -103.33 157.14 5.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 81' ' ' SER . 8.1 t 61.16 78.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.333 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.96 60.69 5.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 0.0 109.527 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -107.47 59.11 0.62 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.261 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -82.93 63.52 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.742 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -102.55 -77.06 0.56 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -96.56 -64.84 1.01 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 m -86.73 116.76 25.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.435 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.9 tp -135.82 20.03 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.762 0.791 . . . . 0.0 108.957 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.22 -175.45 34.65 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.077 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.65 -89.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.203 0.601 . . . . 0.0 111.017 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 128' ' ' ILE . 12.3 mt 52.4 28.58 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 112.027 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.3 p -65.28 -22.92 66.91 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.787 -0.57 . . . . 0.0 111.09 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.62 -10.33 3.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.223 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.701 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -77.78 -12.03 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 109.737 178.327 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? -143.38 -168.17 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.712 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 137' ' ' ILE . 36.9 p -139.34 154.8 47.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.415 -174.311 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.761 ' HA ' HD13 ' A' ' 137' ' ' ILE . 16.1 t70 -48.38 -31.64 6.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.589 0.709 . . . . 0.0 110.978 165.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.44 ' O ' HD12 ' A' ' 139' ' ' ILE . 30.2 t70 -71.68 -26.99 62.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.585 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 139' ' ' ILE . 0.2 OUTLIER -79.78 -33.62 40.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.22 -177.481 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.761 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -56.69 -39.55 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 179.467 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 20.5 m-80 -64.45 -42.93 95.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.792 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.8 mt -63.46 -40.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.584 0.706 . . . . 0.0 109.625 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.77 -50.98 66.88 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.126 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.8 mm -51.13 -47.07 32.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -65.57 -48.94 70.66 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.096 -175.566 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -56.49 -47.69 78.72 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.962 0.887 . . . . 0.0 110.565 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.787 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 54.9 mt -67.8 -41.27 83.4 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.074 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.5 mt-10 -53.3 -24.15 10.98 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.101 0.876 . . . . 0.0 112.813 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.618 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 13.3 mmmm -48.28 -39.09 20.5 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.885 171.545 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.618 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.32 -19.81 7.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.446 1.117 . . . . 0.0 110.157 178.533 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.787 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -83.78 176.04 9.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.725 175.699 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.0 -170.158 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.44 -71.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m 70.41 -59.09 0.53 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 168.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -96.82 125.09 41.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.501 0.667 . . . . 0.0 111.568 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -150.08 -163.93 1.9 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.143 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.33 56.94 2.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.002 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 49.5 m-85 -121.41 178.92 4.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.597 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.569 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 27.0 mt-10 -136.65 -58.47 0.73 Allowed 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.636 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.12 38.7 29.64 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 124.362 1.039 . . . . 0.0 109.669 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.76 88.17 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.04 1.4 . . . . 0.0 112.392 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -41.21 59.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 CA-C-N 111.748 -2.478 . . . . 0.0 111.048 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -52.91 145.89 11.85 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.656 0.741 . . . . 0.0 112.331 174.208 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -108.39 -48.53 3.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.398 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.783 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -77.34 -6.92 55.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.021 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -44.22 -47.36 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.43 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.603 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 18.0 t70 -115.67 17.89 16.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.304 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.0 t70 -53.58 -38.05 63.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.705 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.846 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 74.31 -18.53 0.41 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.452 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.5 pttp -122.72 172.92 8.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 C-N-CA 123.439 0.696 . . . . 0.0 111.241 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -81.28 135.72 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.175 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -102.86 -169.79 1.71 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.562 0.696 . . . . 0.0 111.237 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -71.79 168.45 17.8 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.627 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.7 mtt180 -55.49 -44.33 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.018 0.913 . . . . 0.0 109.247 168.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.69 -5.78 42.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.245 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.3 t -99.3 -24.27 14.89 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.692 -173.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.559 ' HB ' HG13 ' A' ' 137' ' ' ILE . 21.0 mm -81.21 -6.69 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 122.586 1.184 . . . . 0.0 107.918 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 127' ' ' ASN . 44.1 mm -72.58 -55.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-N 113.134 -1.848 . . . . 0.0 110.25 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -73.05 -30.71 63.92 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 122.357 1.075 . . . . 0.0 108.479 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 53' ' ' LEU . 24.1 tp -50.65 -49.35 57.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 112.464 -2.153 . . . . 0.0 113.192 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 30' ' ' ILE . 4.1 mm -59.69 -35.7 61.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.065 -176.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' OD1' ' HA ' ' A' ' 125' ' ' LEU . 27.4 t70 -71.5 -42.04 68.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -57.97 -50.7 72.48 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.809 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -65.48 -56.97 9.5 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.9 -174.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -55.23 -33.8 31.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.819 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 40.4 m -77.96 -34.08 51.24 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.112 -0.368 . . . . 0.0 110.913 175.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.8 t90 -66.75 -36.57 82.74 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.417 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.85 -23.3 52.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.258 174.114 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 62.7 t30 -84.57 -49.59 8.45 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 30.5 m80 -52.33 -33.94 44.91 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.5 t -67.55 -23.07 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 122.179 0.99 . . . . 0.0 109.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 110' ' ' GLU . 26.4 mm -92.2 -61.21 2.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.085 -175.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.18 -49.2 41.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.418 -179.234 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -88.53 -12.2 43.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.35 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.4 t-20 51.55 58.16 5.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.375 -171.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 5.4 mtpm? -75.76 -138.3 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.696 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 24.4 m-20 -134.63 137.17 43.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.542 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.409 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.9 tp -70.65 -28.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 122.275 1.036 . . . . 0.0 109.836 172.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.3 p -75.26 -17.03 60.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.997 -1.456 . . . . 0.0 108.919 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 30.3 t -84.44 82.22 8.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.061 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.3 p -176.06 -170.16 0.36 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.737 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.603 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -112.75 -167.71 17.23 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.858 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.846 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mtt180 -67.79 -44.61 76.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.537 0.684 . . . . 0.0 111.343 -171.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 29' ' ' LEU . 3.9 tt -52.0 -46.26 64.84 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.098 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.2 -32.36 72.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -175.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 49.4 mmtt -63.07 -33.87 76.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 144' ' ' LEU . 5.1 tp10 -72.72 -36.63 67.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.671 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -59.34 -38.18 79.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.767 173.164 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 42.6 mtt -57.34 -33.26 67.56 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.688 0.756 . . . . 0.0 109.82 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 59.3 mttt -71.18 -13.0 61.78 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.175 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.686 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -83.12 -14.34 53.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.881 0.848 . . . . 0.0 109.635 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' HG13 ' A' ' 65' ' ' ILE . 20.1 t70 -67.9 -38.92 83.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 172.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.7 t70 -76.6 -41.39 46.33 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.048 -2.342 . . . . 0.0 110.532 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -62.46 -31.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -72.96 -44.97 60.5 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.212 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 62' ' ' ASP . 48.2 mt -56.62 -35.32 44.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.694 0.759 . . . . 0.0 110.411 172.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -66.98 -44.71 79.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.794 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.6 OUTLIER -82.87 -69.73 0.61 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.687 -171.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.092 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 105.76 142.08 10.89 Favored Glycine 0 N--CA 1.43 -1.708 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.123 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.444 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.3 tp -58.46 -44.78 89.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 114.883 -0.658 . . . . 0.0 110.325 -174.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.33 -51.68 68.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 120.777 0.323 . . . . 0.0 111.459 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 1.5 mmpt? -63.85 -42.96 97.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.415 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 104' ' ' ILE . 31.3 mt -56.48 -47.16 82.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 177.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -53.26 -48.29 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.1 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.74 -39.64 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.596 0.712 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.826 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.0 OUTLIER -71.51 -52.51 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.387 -175.201 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.991 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.0 p -51.62 -52.6 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.751 0.786 . . . . 0.0 111.308 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' N ' HG13 ' A' ' 77' ' ' VAL . 39.0 mt-10 -60.75 -32.67 71.96 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.04 -1.437 . . . . 0.0 112.302 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -52.15 64.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.94 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.826 ' HE3' HG23 ' A' ' 76' ' ' ILE . 9.6 mmt -48.53 -30.74 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.388 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG21 ' A' ' 117' ' ' ILE . 20.2 m -69.32 -21.72 63.82 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.963 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.51 2.92 56.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.583 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.12 29.32 60.69 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.956 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -160.72 126.98 4.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.033 0.417 . . . . 0.0 111.025 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 28.1 p-80 -104.51 165.95 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.552 ' H ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -126.72 12.04 7.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.214 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' A' ' 76' ' ' ILE . 1.2 pp -161.29 157.74 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.317 0.247 . . . . 0.0 110.843 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -110.22 138.55 46.45 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -87.88 176.06 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.294 -172.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -80.68 155.96 26.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.444 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -142.88 -76.09 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.246 0.546 . . . . 0.0 110.414 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.3 m -83.47 56.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.553 0.692 . . . . 0.0 111.7 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -121.22 -73.83 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.794 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.06 150.1 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.772 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.5 ' HA ' HD23 ' A' ' 98' ' ' LEU . 51.4 tt0 -51.56 -31.02 22.83 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.747 0.654 . . . . 0.0 111.205 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.77 -46.54 81.41 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.461 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t -65.21 -34.51 78.55 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.319 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.5 HD23 ' HA ' ' A' ' 95' ' ' GLN . 4.3 mm? -56.45 -42.01 77.44 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -73.56 -39.04 64.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.864 0.364 . . . . 0.0 111.914 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -56.89 -40.48 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.347 -174.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.616 ' HA ' HG22 ' A' ' 104' ' ' ILE . 5.3 m -66.95 -21.62 65.97 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.07 -52.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.712 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.63 -39.33 95.36 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.358 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.686 HD13 HG12 ' A' ' 73' ' ' ILE . 4.9 tp -59.96 -37.14 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.6 t -73.16 -28.57 62.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -72.55 -37.96 68.11 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.254 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -70.36 -30.13 66.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.601 0.715 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.991 ' HA ' HG23 ' A' ' 77' ' ' VAL . 31.7 mt -71.58 -50.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.151 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 t -63.74 -35.9 82.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.02 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.558 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.8 pt-20 -68.75 -39.05 80.49 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 122.165 -0.334 . . . . 0.0 111.82 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -56.65 -30.77 63.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.404 0.621 . . . . 0.0 111.053 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 121' ' ' ARG . 51.7 m0 -72.39 -19.31 61.63 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -71.21 -45.42 49.1 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.083 -0.579 . . . . 0.0 114.205 -169.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.524 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -57.19 -59.1 5.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.238 0.519 . . . . 0.0 111.878 -170.577 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HE2' HD11 ' A' ' 117' ' ' ILE . 19.8 pttm -109.61 22.08 16.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? 60.09 69.31 0.71 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.912 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.6 mt -104.53 156.06 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.731 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t 53.97 88.52 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 O-C-N 124.104 0.877 . . . . 0.0 112.018 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -83.18 9.2 11.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -99.45 16.16 24.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.43 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 112' ' ' TRP . 26.0 ptt-85 -80.02 39.15 0.43 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.24 0.543 . . . . 0.0 112.187 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -113.7 39.23 2.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.45 -63.1 1.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.72 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 129' ' ' THR . 25.8 m -152.6 124.3 7.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.558 0.218 . . . . 0.0 110.482 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.433 ' HA ' ' OD1' ' A' ' 31' ' ' ASP . 7.2 mp -97.85 61.05 1.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.148 0.499 . . . . 0.0 109.865 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -158.39 -161.27 10.89 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.588 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 5.4 p30 -82.46 -46.15 13.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.87 0.335 . . . . 0.0 110.55 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 132' ' ' MET . 31.0 mt -79.54 73.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.422 ' HA ' ' HB2' ' A' ' 124' ' ' SER . 13.6 p -75.87 -70.26 0.45 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.61 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -72.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.095 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.492 HD22 ' CG2' ' A' ' 101' ' ' THR . 0.8 OUTLIER -100.7 -39.56 7.79 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -169.358 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.801 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.2 ppp? -83.44 163.04 20.78 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.402 -156.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 135' ' ' ASP . 1.5 p -142.29 165.8 26.44 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.97 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.946 ' HA ' HD13 ' A' ' 137' ' ' ILE . 2.0 p-10 -50.01 -27.46 5.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.909 171.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 133' ' ' THR . 8.4 t70 -69.64 -32.5 71.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.801 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -79.07 -28.01 43.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.256 -175.079 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.946 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.3 mp -54.06 -39.25 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.772 175.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.555 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.2 m-80 -67.04 -41.35 86.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.771 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.3 mp -61.16 -41.6 90.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.56 -51.81 60.91 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.845 -175.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.686 ' HA ' HD11 ' A' ' 20' ' ' ILE . 28.5 mm -51.52 -42.9 30.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.959 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.82 -49.33 66.13 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.651 -175.38 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 69.9 t80 -57.57 -47.22 82.68 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.942 0.877 . . . . 0.0 110.534 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.636 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 52.7 mt -66.1 -41.35 90.74 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.652 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.497 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.5 mt-10 -53.47 -25.3 15.8 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.017 0.823 . . . . 0.0 112.465 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 28.1 mmtp -48.66 -37.14 17.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.196 171.534 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.446 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.38 -10.44 7.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 122.198 0.999 . . . . 0.0 110.205 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.758 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -101.14 178.83 4.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.522 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.497 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.9 t-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.149 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.0 mtp . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.755 0.312 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.2 -25.94 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.133 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -79.12 88.2 4.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.149 0.499 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HB3' ' OE1' ' A' ' 8' ' ' GLU . 19.7 mtpp -93.36 117.57 30.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.719 -173.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 3.8 tt -167.42 108.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.009 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.573 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 t70 77.68 135.85 0.06 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.868 0.73 . . . . 0.0 112.77 173.084 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 61.65 31.25 18.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.805 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' OE1' ' HB3' ' A' ' 4' ' ' LYS . 14.0 mt-10 -87.91 -76.94 0.36 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.3 m-20 -81.66 30.83 0.36 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . -64.63 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 123.003 1.382 . . . . 0.0 110.752 169.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -62.22 -44.27 98.91 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.102 0 CA-C-N 111.729 -2.487 . . . . 0.0 111.63 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.92 138.47 24.4 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.508 178.589 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -107.46 -42.22 4.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.685 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -82.45 -0.84 48.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.122 -179.007 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -44.62 -62.49 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.009 168.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.9 t70 -100.47 20.85 14.15 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.553 0.692 . . . . 0.0 109.657 -174.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.685 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 18.0 t70 -53.5 -36.35 61.63 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.785 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 73.93 -21.8 0.26 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.824 174.135 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' C ' HD13 ' A' ' 148' ' ' LEU . 20.8 pttp -122.61 172.34 8.47 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.466 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.5 tp -76.22 133.77 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.513 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.21 -169.3 1.74 Allowed 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 121.7 0.762 . . . . 0.0 111.922 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.7 t -72.42 161.89 30.2 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.003 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 137' ' ' ILE . 46.1 mtm180 -56.3 -40.52 74.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.241 1.02 . . . . 0.0 109.112 168.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.07 -6.2 44.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.107 -1.406 . . . . 0.0 110.629 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.0 t -106.22 -13.84 15.3 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.43 -170.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 18.6 mm -89.22 -5.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.31 -54.89 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.584 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.3 m-20 -71.72 -28.15 63.49 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.985 -1.462 . . . . 0.0 108.577 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 25' ' ' SER . 24.2 tp -61.3 -46.27 90.99 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.169 -169.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 30' ' ' ILE . 1.5 mm -59.75 -28.99 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.79 -43.33 55.31 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.79 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.9 mm-40 -58.63 -51.46 69.81 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.929 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.16 -56.82 14.94 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 120.763 0.316 . . . . 0.0 111.109 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mm -51.54 -41.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.534 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 53.7 m -70.98 -36.59 72.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.737 176.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.6 t90 -67.82 -37.71 82.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.117 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.09 -23.17 61.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.193 0.52 . . . . 0.0 109.653 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.7 t-20 -86.53 -42.36 13.59 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -54.25 -32.85 57.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.529 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.963 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 17.2 t -70.92 -20.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 122.146 0.974 . . . . 0.0 109.835 -177.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.516 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.9 mm -95.64 -61.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 114.482 -1.236 . . . . 0.0 112.684 -174.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -52.28 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.277 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.8 m-85 -87.38 -9.21 55.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.848 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.5 t-20 54.84 49.33 18.08 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.969 -172.065 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.963 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 15.9 mtpt -67.7 -167.13 0.06 Allowed 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.663 175.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 5.1 t0 -104.44 139.81 38.84 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.811 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.5 tp -71.81 -28.04 29.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.964 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.1 p -84.45 -12.74 53.79 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.939 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.587 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 30.8 t -76.0 81.7 2.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.163 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.644 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 34.9 t 175.33 -173.43 0.08 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.912 0.885 . . . . 0.0 109.014 175.099 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.652 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -88.94 -146.71 13.45 Favored Glycine 0 C--O 1.217 -0.963 0 CA-C-O 121.847 0.693 . . . . 0.0 114.724 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.785 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.4 mmt180 -84.45 -45.22 12.91 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 123.493 0.717 . . . . 0.0 111.516 171.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -49.08 -48.98 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.626 -170.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.77 -37.43 86.3 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -170.42 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 58.3 mmtt -45.13 -39.44 6.04 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.203 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 144' ' ' LEU . 11.2 tp10 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.33 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -58.18 -37.31 74.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.208 172.199 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.415 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 50.1 mtt -56.0 -32.54 64.05 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.841 0.829 . . . . 0.0 110.267 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 52.8 mttt -75.16 -9.23 58.35 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.852 -176.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.9 m-30 -86.34 -17.1 35.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.09 0.948 . . . . 0.0 109.156 172.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 9.5 t70 -69.34 -38.1 77.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 25.5 t70 -78.86 -39.74 34.44 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.127 -2.306 . . . . 0.0 110.377 -174.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -62.45 -33.41 59.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.719 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.05 61.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.315 -1.312 . . . . 0.0 111.105 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.7 mt -58.08 -35.57 53.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.704 0.764 . . . . 0.0 109.966 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -69.76 -37.56 76.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.473 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -89.61 -72.51 0.55 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.764 -172.312 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -67.58 -41.25 84.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.441 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 109.76 142.33 9.48 Favored Glycine 0 N--CA 1.427 -1.959 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.889 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.0 tp -56.34 -44.82 80.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 O-C-N 124.4 0.706 . . . . 0.0 109.777 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 12.4 t70 -56.68 -52.74 63.77 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.344 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.44 -42.9 99.8 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.425 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.793 HG12 HD13 ' A' ' 104' ' ' ILE . 36.5 mt -60.47 -46.31 95.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.663 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -53.08 -48.71 67.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.827 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 20.5 mt-10 -70.92 -34.69 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.805 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.683 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -70.46 -52.8 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.779 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.678 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.32 -51.14 51.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.726 0.774 . . . . 0.0 111.691 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 24.2 mt-10 -56.62 -40.6 75.64 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.078 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.67 73.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.874 ' HE3' HD11 ' A' ' 87' ' ' ILE . 10.2 mmt -48.54 -31.87 7.15 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 175.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.555 ' HB3' HG21 ' A' ' 117' ' ' ILE . 22.1 m -76.81 -9.52 58.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.882 -171.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.47 -1.35 28.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.029 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.76 86.22 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.779 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.35 127.47 27.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 21.4 p80 -131.17 179.86 5.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.366 0.603 . . . . 0.0 112.062 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HE1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -146.52 71.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.261 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 ' HE3' ' A' ' 80' ' ' MET . 43.7 mm -94.87 131.61 41.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.872 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -93.01 178.78 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -105.56 152.04 23.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.811 0.339 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.8 p -77.1 100.74 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.264 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -55.26 -60.81 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.507 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 92' ' ' VAL . 9.2 m -84.06 112.09 20.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.891 175.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -79.65 50.84 1.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.947 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -83.72 154.2 23.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.619 -177.239 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.529 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.6 tt0 -50.8 -39.07 51.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 111.244 174.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 38.4 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.662 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -72.7 -36.89 67.95 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' GLN . 82.2 mt -61.22 -51.89 67.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.56 -38.35 89.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.154 0.502 . . . . 0.0 110.706 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.09 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -65.84 -33.11 75.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -71.25 -53.91 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.397 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.634 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -64.81 -39.87 96.92 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.911 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.793 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.11 -37.47 68.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.56 -30.51 64.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.206 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.71 -38.57 73.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.286 0.234 . . . . 0.0 110.54 -175.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.06 -30.67 70.47 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.552 0.692 . . . . 0.0 110.333 -179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.678 ' HA ' HG23 ' A' ' 77' ' ' VAL . 38.4 mt -77.38 -51.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 106' ' ' ALA . 9.8 t -60.98 -38.82 87.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.811 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 14.5 pt-20 -70.95 -39.41 72.61 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.151 -0.343 . . . . 0.0 111.183 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -58.9 -28.01 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.22 0.533 . . . . 0.0 110.673 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.53 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 43.9 m0 -77.26 -20.95 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -63.67 -40.87 99.04 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 114.213 0.445 . . . . 0.0 114.213 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.516 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.1 m-85 -55.56 -57.07 13.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.306 0.553 . . . . 0.0 112.106 -169.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' A' ' 117' ' ' ILE . 60.0 pttt -111.45 18.56 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.68 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 59.8 59.55 2.46 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.65 0.738 . . . . 0.0 110.196 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 81' ' ' SER . 16.4 mt -76.7 150.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.924 -172.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 33.8 t 168.85 -66.93 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 175.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 45.01 40.29 4.41 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 124.372 1.045 . . . . 0.0 110.951 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p -95.99 114.37 26.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.254 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -65.78 -35.98 82.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.86 103.8 10.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLN . . . . . 0.584 ' HB3' ' HG ' ' A' ' 125' ' ' LEU . 1.7 mp0 -69.32 107.76 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.542 -173.31 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -86.88 67.24 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.187 0.518 . . . . 0.0 109.709 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' A' ' 123' ' ' GLN . 2.2 pp -141.96 -176.16 4.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.974 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 145.29 -70.1 0.38 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.707 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.91 123.33 44.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.435 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 tp -98.15 -45.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.925 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.6 p -61.06 -26.56 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.946 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.49 -1.55 8.88 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -12.16 59.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.922 0.868 . . . . 0.0 109.014 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.778 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? -143.07 -169.47 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.122 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 137' ' ' ILE . 44.4 p -139.71 155.4 47.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.585 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.935 ' HA ' HD13 ' A' ' 137' ' ' ILE . 4.6 t70 -48.3 -32.66 7.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.443 0.639 . . . . 0.0 110.693 166.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.48 -33.26 75.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.341 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.778 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -79.14 -27.88 42.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.06 -174.679 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.935 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -57.1 -38.66 61.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.703 177.69 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.2 m-80 -65.38 -42.74 92.35 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.465 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.24 -42.09 93.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.18 -52.75 61.12 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.059 -176.702 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.58 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.9 mm -51.1 -43.46 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.934 175.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.18 -48.79 66.9 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.623 -175.657 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 57.1 t80 -57.66 -47.49 82.13 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.018 0.914 . . . . 0.0 110.351 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 57.7 mt -65.65 -41.71 92.23 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.639 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.443 ' HG3' HG12 ' A' ' 20' ' ' ILE . 12.9 mt-10 -53.7 -24.82 15.84 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.197 0.935 . . . . 0.0 112.639 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.633 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 18.8 mmmt -48.91 -40.74 31.1 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.353 170.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.633 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -114.71 -27.95 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.343 1.068 . . . . 0.0 109.762 178.785 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.677 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -84.42 176.24 8.8 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.228 -1.805 . . . . 0.0 110.015 178.055 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.587 ' HB2' HG21 ' A' ' 20' ' ' ILE . 52.9 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 119.005 -0.521 . . . . 0.0 109.939 -168.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mtm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.67 167.37 0.22 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.858 0.724 . . . . 0.0 111.586 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 m 58.97 53.6 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.79 0.805 . . . . 0.0 110.535 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -95.69 -26.11 15.84 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.8 98.45 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.616 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 2.0 p30 -116.14 -100.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -173.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.694 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 3.1 p90 -118.93 78.69 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.444 0.64 . . . . 0.0 111.705 -174.684 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 10' ' ' ALA . 9.8 mt-10 -87.35 -48.03 8.32 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.926 0.87 . . . . 0.0 109.194 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.434 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.6 m-20 -77.48 27.48 0.16 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 114.169 -1.378 . . . . 0.0 110.181 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -66.92 78.16 0.12 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 122.844 1.307 . . . . 0.0 110.669 168.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -71.73 -41.79 70.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 112.075 -2.33 . . . . 0.0 112.371 -178.384 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.72 145.96 8.62 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.695 0.759 . . . . 0.0 112.642 176.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -107.76 -45.97 3.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.389 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -82.86 -3.82 57.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.965 -177.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 p -41.87 -49.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.055 173.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.624 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 37.3 t70 -114.84 19.82 15.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.867 0.867 . . . . 0.0 110.588 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.9 t70 -53.34 -35.35 60.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.293 -173.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.737 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER 73.09 -28.95 0.2 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.754 177.73 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' C ' HD13 ' A' ' 148' ' ' LEU . 54.5 pttt -113.69 171.53 7.52 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.45 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.6 tp -80.99 155.93 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.6 -168.15 1.73 Allowed 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 118.384 0.538 . . . . 0.0 110.097 -170.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -67.05 157.12 34.3 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.93 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' HG21 ' A' ' 137' ' ' ILE . 98.6 mtt180 -57.24 -37.72 72.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.09 0.947 . . . . 0.0 109.46 170.138 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.53 -2.36 31.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.194 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.5 t -103.31 -10.26 18.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.828 -173.158 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 mm -88.05 -7.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -70.78 -55.62 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 112.845 -1.979 . . . . 0.0 109.967 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.81 -36.27 70.21 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.084 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 53' ' ' LEU . 20.1 tp -50.7 -52.63 38.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 112.501 -2.136 . . . . 0.0 113.757 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.703 HG13 ' SD ' ' A' ' 132' ' ' MET . 2.5 mm -61.37 -28.76 44.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.307 0.575 . . . . 0.0 110.458 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.41 -44.14 46.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.259 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -58.41 -50.58 73.17 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 176.602 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -61.73 -58.0 9.72 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.946 0.403 . . . . 0.0 111.203 -169.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 109' ' ' THR . 43.3 mm -48.2 -42.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.695 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -69.31 -35.67 76.22 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.117 0.484 . . . . 0.0 110.751 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 64.9 t90 -67.22 -39.94 86.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.515 HH21 ' CD ' ' A' ' 110' ' ' GLU . 38.8 mmm-85 -54.55 -27.41 38.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.605 0.566 . . . . 0.0 110.333 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.1 t-20 -85.73 -44.4 12.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HA ' HG23 ' A' ' 42' ' ' VAL . 5.6 m-70 -54.46 -35.1 62.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.244 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.762 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 18.8 t -60.08 -30.95 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 121.754 0.787 . . . . 0.0 110.522 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 110' ' ' GLU . 27.1 mm -84.39 -62.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.31 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -47.98 -50.33 10.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.749 -178.194 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -90.67 -8.37 50.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.704 -175.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 54.78 52.27 12.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.19 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.762 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 96.2 mttt -76.22 -145.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.883 177.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 49' ' ' SER . 10.7 m-20 -134.85 134.47 40.81 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.147 0.498 . . . . 0.0 110.602 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tp -78.64 -31.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.681 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -75.79 -17.18 59.96 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.587 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -91.19 82.11 5.52 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 113.091 -1.868 . . . . 0.0 110.836 -175.429 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -165.94 -162.07 0.53 Allowed 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.342 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.624 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -99.88 -173.46 30.47 Favored Glycine 0 N--CA 1.429 -1.831 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.769 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.737 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 57.1 mtp180 -71.46 -42.55 68.02 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.738 0.78 . . . . 0.0 111.093 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.88 -43.07 59.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 113.608 -1.633 . . . . 0.0 110.409 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.8 m-30 -73.59 -40.47 63.84 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.991 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 24.5 mmtp -50.65 -33.95 24.43 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.868 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.7 tp10 -72.04 -40.7 68.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.51 -37.03 69.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 172.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 55' ' ' LYS . 50.8 mtt -57.41 -33.05 67.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.308 0.575 . . . . 0.0 110.292 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 59.5 mttt -70.27 -17.48 63.11 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.908 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -77.01 -15.57 59.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.728 0.775 . . . . 0.0 109.764 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.626 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.3 t70 -69.47 -39.53 77.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.5 t70 -78.9 -39.91 33.64 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.533 -2.121 . . . . 0.0 110.644 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.6 p -60.4 -35.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.438 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.13 63.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.929 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 62' ' ' ASP . 69.6 mt -56.62 -36.33 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.172 0.511 . . . . 0.0 111.041 172.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.3 ttt-85 -72.18 -48.11 45.7 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.424 0.63 . . . . 0.0 110.427 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' OH ' ' HB3' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -68.44 -72.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.766 -174.411 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.63 -39.53 57.67 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.099 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 108.47 144.07 10.8 Favored Glycine 0 N--CA 1.428 -1.853 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.059 174.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -56.47 -43.45 77.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 O-C-N 124.295 0.644 . . . . 0.0 109.568 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.522 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.9 t70 -56.54 -53.62 55.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.371 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.21 -44.1 92.96 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.409 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.791 HG12 HD13 ' A' ' 104' ' ' ILE . 37.0 mt -58.57 -46.46 90.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.214 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 23.3 mt-10 -72.67 -39.03 67.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.284 0.564 . . . . 0.0 110.543 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.886 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.1 mp -66.08 -52.58 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.873 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.937 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.6 p -51.63 -50.33 31.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 122.088 0.947 . . . . 0.0 111.117 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 77' ' ' VAL . 96.1 mt-10 -57.01 -41.95 79.45 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.486 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -59.65 -51.97 67.53 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.44 178.057 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.886 ' HE2' HG23 ' A' ' 76' ' ' ILE . 8.4 mmt -48.7 -28.75 3.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 111.063 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.505 ' HB3' ' CG2' ' A' ' 117' ' ' ILE . 30.7 m -81.22 -16.9 51.37 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -173.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.58 -18.5 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.9 17.86 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.673 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 22.8 t70 -140.14 116.85 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -136.9 -173.92 3.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.304 0.573 . . . . 0.0 111.851 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' HE1' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -150.28 41.15 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.762 -178.71 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.669 HD11 HG12 ' A' ' 76' ' ' ILE . 44.4 mm -92.16 117.98 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.255 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -171.9 147.01 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.19 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 t80 72.04 124.75 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.086 0.866 . . . . 0.0 112.556 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -96.44 135.62 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.028 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HB3' ' OH ' ' A' ' 67' ' ' TYR . 20.9 tptp -52.48 -77.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -173.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' OH ' ' A' ' 67' ' ' TYR . 30.0 m -96.41 -16.39 7.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.0 t60 51.99 64.86 1.68 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 38.2 t70 -122.11 -179.04 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.989 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.3 tt0 -53.36 -41.35 65.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 110.751 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.79 -45.23 70.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.703 176.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.415 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 1.4 m -70.04 -37.05 75.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 95' ' ' GLN . 85.7 mt -56.9 -54.59 44.79 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.615 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.3 m-30 -63.11 -40.96 99.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.76 69.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 131' ' ' LEU . 27.0 m -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.938 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.32 -51.73 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.91 -40.72 97.43 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.899 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.791 HD13 HG12 ' A' ' 73' ' ' ILE . 5.5 tp -57.44 -44.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.529 ' HA ' HD12 ' A' ' 108' ' ' ILE . 95.7 m -72.02 -25.4 61.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.56 74.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.088 0.47 . . . . 0.0 110.281 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.541 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -71.6 -29.48 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.918 -177.612 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.937 ' HA ' HG23 ' A' ' 77' ' ' VAL . 43.7 mt -69.51 -50.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.205 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.673 HG21 HG23 ' A' ' 34' ' ' ILE . 15.4 t -66.39 -31.49 72.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.343 -174.071 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.541 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 19.2 pt-20 -72.31 -45.44 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -55.59 -30.85 61.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 111.301 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.686 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.7 m0 -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -56.36 -49.73 66.85 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.302 0.481 . . . . 0.0 114.302 -172.54 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 41' ' ' ILE . 30.3 m-85 -59.98 -62.96 1.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.343 0.571 . . . . 0.0 112.513 -168.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' HG12 ' A' ' 117' ' ' ILE . 59.3 pttt -104.49 10.21 35.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.913 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? 59.38 75.64 0.39 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.57 0.7 . . . . 0.0 109.39 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.686 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.4 mt -89.23 158.61 2.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.429 -170.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 81' ' ' SER . 34.5 t 81.45 -58.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.164 0.915 . . . . 0.0 110.262 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 54.49 37.18 27.34 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -68.8 117.31 10.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.891 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.36 -18.27 42.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 -173.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -84.86 58.07 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.329 0.585 . . . . 0.0 110.921 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -99.88 62.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.8 m -129.54 51.18 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.477 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.77 -29.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.38 -83.49 0.88 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 67.96 -176.41 0.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.929 0.492 . . . . 0.0 109.798 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 34' ' ' ILE . 47.4 mm 71.11 -68.96 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 122.769 0.428 . . . . 0.0 110.7 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.1 m -64.46 -26.43 68.44 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.088 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -81.84 -5.28 58.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.814 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.51 ' CD1' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -90.23 -8.93 49.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.628 0.727 . . . . 0.0 110.15 -176.081 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.703 ' SD ' HG13 ' A' ' 30' ' ' ILE . 22.0 ptm -129.55 178.5 6.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.3 p -106.96 -174.25 2.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.798 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -84.68 -28.2 26.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.47 -23.7 60.1 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 111.833 -2.44 . . . . 0.0 110.267 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.585 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 0.3 OUTLIER -75.41 -26.7 58.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -174.819 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.798 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -58.8 -39.78 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 CA-C-N 113.169 -1.832 . . . . 0.0 109.592 174.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.541 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.7 m-20 -70.49 -41.09 73.15 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.131 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.59 -39.83 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.751 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.43 -51.79 61.35 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.702 -178.037 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 20' ' ' ILE . 21.9 mm -50.6 -44.33 25.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 121.366 0.603 . . . . 0.0 109.81 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -68.26 -48.55 64.75 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.884 -174.293 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 61.0 t80 -57.94 -46.72 84.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.084 0.945 . . . . 0.0 110.446 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 41.3 mt -65.44 -44.23 87.97 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.84 -1.527 . . . . 0.0 110.281 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.6 mt-10 -52.96 -25.06 10.78 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.151 0.907 . . . . 0.0 112.688 -176.218 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.611 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 31.3 mmtt -49.02 -40.32 30.59 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.365 170.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.611 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -116.55 -15.54 10.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.116 0.96 . . . . 0.0 110.109 177.812 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.679 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.99 178.01 5.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.471 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.0 t-20 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 123.361 0.664 . . . . 0.0 110.42 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtm . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.39 118.57 1.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.812 0.339 . . . . 0.0 111.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 6' ' ' ASP . 3.7 m -86.9 72.13 10.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -77.4 140.63 39.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.629 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.5 mt 70.4 23.06 5.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.234 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.605 ' HB2' HG22 ' A' ' 3' ' ' THR . 23.1 t70 -78.13 118.33 20.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.87 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' H ' ' HD2' ' A' ' 43' ' ' PHE . 55.6 m-85 -143.52 38.82 1.39 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.624 ' HG2' ' HD2' ' A' ' 45' ' ' LYS . 41.4 mt-10 -31.86 -68.12 0.1 Allowed 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 124.76 1.288 . . . . 0.0 114.085 -168.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 71.1 -14.5 0.45 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 124.628 1.205 . . . . 0.0 110.292 -168.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . 20.59 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 125.089 1.356 . . . . 0.0 113.419 -172.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -47.6 61.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.137 -2.301 . . . . 0.0 110.897 175.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.887 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.44 138.52 33.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 121.48 0.657 . . . . 0.0 112.558 174.173 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -102.35 -52.44 3.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.512 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.715 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -76.49 -0.99 25.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.18 -175.308 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG13 ' H ' ' A' ' 16' ' ' ASP . 2.6 p -43.61 -62.81 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.938 167.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.59 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.6 t70 -100.46 20.8 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.539 0.685 . . . . 0.0 110.199 -173.049 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.1 t0 -56.76 -36.76 70.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.858 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.69 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.4 t70 74.6 -26.04 0.2 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.296 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 17' ' ' ASP . 63.0 pttt -123.57 171.75 9.29 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.849 -174.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 7.1 tp -78.96 139.51 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.162 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -100.9 -169.66 1.74 Allowed 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 121.399 0.619 . . . . 0.0 111.505 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -72.88 164.89 25.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.798 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' HG21 ' A' ' 137' ' ' ILE . 25.9 mtm180 -55.37 -42.3 73.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.08 0.943 . . . . 0.0 109.342 168.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.88 -7.95 44.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.785 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 23.1 t -101.54 -16.38 16.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.993 -171.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.751 ' HB ' HG13 ' A' ' 137' ' ' ILE . 22.1 mm -85.76 -8.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' CD1' ' A' ' 137' ' ' ILE . 39.8 mm -68.32 -55.94 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 112.969 -1.923 . . . . 0.0 109.348 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 m-20 -72.66 -28.76 62.92 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 113.859 -1.519 . . . . 0.0 108.972 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 53' ' ' LEU . 23.5 tp -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 112.735 -2.029 . . . . 0.0 112.098 -170.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.64 HG13 ' HG2' ' A' ' 132' ' ' MET . 2.7 mm -61.46 -31.38 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.683 -177.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.554 ' HA ' HG21 ' A' ' 128' ' ' ILE . 21.6 t70 -73.36 -42.22 62.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.887 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.1 mm-40 -58.38 -51.86 68.05 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.383 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 57' ' ' LEU . 69.6 t80 -64.72 -56.73 11.86 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.322 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG21 HD12 ' A' ' 128' ' ' ILE . 38.6 mm -51.29 -40.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.786 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 59.9 m -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.914 0.388 . . . . 0.0 110.748 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . 91.0 t90 -67.09 -37.45 83.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 0.0 110.55 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.627 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -57.77 -23.07 50.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.288 0.566 . . . . 0.0 110.055 173.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.0 t-20 -86.61 -46.36 10.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.558 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 6.2 m-70 -52.12 -40.0 60.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.964 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 6.5 t -59.49 -24.9 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.569 0.7 . . . . 0.0 110.987 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 110' ' ' GLU . 22.1 mm -92.25 -66.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.85 -175.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -49.35 68.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.196 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' HD2' ' H ' ' A' ' 7' ' ' TYR . 1.1 m-85 -88.03 -4.19 58.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.196 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 52.14 43.47 30.51 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.387 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 14.4 mtpp -68.13 -166.56 0.07 Allowed 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.707 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 6.6 t0 -105.26 140.13 38.87 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.496 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -72.61 -26.72 24.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.441 173.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -88.36 -10.48 49.23 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.941 0.877 . . . . 0.0 109.187 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.0 t -72.88 82.25 1.19 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.186 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.712 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 36.6 t 172.47 -171.82 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.836 0.854 . . . . 0.0 109.324 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.646 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -90.56 -143.52 11.0 Favored Glycine 0 N--CA 1.468 0.833 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -171.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.69 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 14.1 mtt180 -83.57 -50.29 8.38 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.341 1.067 . . . . 0.0 112.451 170.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -48.67 -44.76 38.07 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.935 -167.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -65.89 -37.29 85.71 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -172.124 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 57.7 mmtt -45.42 -37.74 5.39 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.39 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG2' HD23 ' A' ' 144' ' ' LEU . 4.1 tp10 -74.91 -36.85 62.18 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 121.087 0.47 . . . . 0.0 110.425 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -57.33 -37.01 71.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.847 172.478 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtt -55.21 -35.03 64.44 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.514 0.674 . . . . 0.0 110.137 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -71.05 -12.89 61.77 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.619 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.601 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.7 m-30 -80.27 -17.01 53.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.057 0.932 . . . . 0.0 109.214 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.4 t70 -69.61 -42.3 74.58 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.484 172.033 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.808 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.4 t70 -75.82 -41.4 52.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 112.301 -2.227 . . . . 0.0 110.521 -173.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -61.19 -34.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.808 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.16 -40.51 64.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.014 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 62' ' ' ASP . 51.8 mt -58.41 -34.96 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 110.327 172.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.25 -46.12 61.72 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.33 0.586 . . . . 0.0 110.609 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -76.43 -71.38 0.39 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.158 -172.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.88 -36.78 70.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.29 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.59 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.91 140.17 11.24 Favored Glycine 0 N--CA 1.431 -1.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.062 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.1 tp -56.21 -43.88 77.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.671 -0.764 . . . . 0.0 109.892 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -59.06 -50.83 72.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.332 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -61.21 -46.12 91.74 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 177.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 104' ' ' ILE . 46.0 mt -57.66 -47.38 85.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.603 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.47 -43.34 68.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.015 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -70.06 -37.02 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.29 0.567 . . . . 0.0 110.756 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.739 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.99 -52.99 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.769 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.1 p -52.73 -49.86 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.809 0.814 . . . . 0.0 111.471 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' SER . 9.7 mt-10 -61.41 -31.13 71.05 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.81 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.4 72.52 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.981 0.42 . . . . 0.0 110.135 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.739 ' HE3' HG23 ' A' ' 76' ' ' ILE . 8.2 mmt -53.69 -27.29 26.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.606 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 46.4 t -66.66 -23.66 66.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.287 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -97.56 -1.18 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.737 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 1.003 ' HA3' ' HB2' ' A' ' 120' ' ' SER . . . 75.46 28.28 61.89 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.568 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.68 123.97 13.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.474 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 27.5 p80 -117.59 172.15 7.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.205 0.526 . . . . 0.0 111.393 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.476 ' H ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -143.65 45.61 1.49 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.587 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.657 HD11 ' HE1' ' A' ' 80' ' ' MET . 43.9 mm -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.081 -170.786 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -115.98 74.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.547 ' HD2' HG23 ' A' ' 87' ' ' ILE . 98.3 m-85 -125.37 -166.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.42 -176.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.3 p -65.26 -65.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.785 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HG3' HG22 ' A' ' 92' ' ' VAL . 23.6 tptm 67.81 132.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.751 0.657 . . . . 0.0 109.852 -173.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.743 ' HA ' HD23 ' A' ' 98' ' ' LEU . 26.7 m 42.35 -141.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 123.667 0.604 . . . . 0.0 111.774 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 74.76 -85.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.656 0.382 . . . . 0.0 111.349 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.773 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 14.2 t70 -92.93 171.56 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.539 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 98' ' ' LEU . 61.5 tt0 -72.26 -46.96 53.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.556 0.693 . . . . 0.0 109.561 -175.355 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.0 tt0 -61.65 -32.22 72.38 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.134 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.5 t -79.99 -35.42 37.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.628 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 94' ' ' ASP . 83.9 mt -53.98 -58.15 8.39 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.08 -41.34 98.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.51 -32.88 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.456 HG22 ' HG ' ' A' ' 131' ' ' LEU . 34.0 m -65.32 -32.65 74.42 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.722 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.65 -55.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.668 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.57 -38.31 94.56 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.814 -0.707 . . . . 0.0 114.062 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.768 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -60.47 -35.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.21 -31.1 63.97 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.352 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.627 ' HB1' ' HD3' ' A' ' 37' ' ' ARG . . . -71.21 -33.76 70.2 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' LYS . 13.2 tptt -62.48 -31.03 71.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.751 0.786 . . . . 0.0 110.531 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HG3' ' A' ' 80' ' ' MET . 31.0 mt -77.53 -48.51 24.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.174 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 106' ' ' ALA . 11.2 t -60.76 -38.1 84.06 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.103 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 41' ' ' ILE . 11.3 pt-20 -72.03 -45.23 61.63 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.123 -0.361 . . . . 0.0 111.663 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 22.8 t-80 -58.05 -27.38 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 111.413 -173.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.444 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 44.0 m0 -76.94 -21.19 55.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.389 -174.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.51 61.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 114.971 0.748 . . . . 0.0 114.971 -167.709 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' CE1' HG23 ' A' ' 41' ' ' ILE . 16.8 m-85 -53.85 -53.16 56.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -110.87 10.35 22.42 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.969 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 57.69 73.57 0.46 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.671 0.748 . . . . 0.0 111.037 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 118' ' ' SER . 16.8 mt -88.74 152.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.053 -177.246 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 25.8 t 164.33 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.409 1.068 . . . . 0.0 109.611 172.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 67.85 -63.42 0.31 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.178 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . 1.003 ' HB2' ' HA3' ' A' ' 83' ' ' GLY . 13.6 m -90.64 82.85 5.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.625 0.25 . . . . 0.0 110.598 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 68.18 97.04 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.94 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' PHE . . . . . 0.437 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 24.4 m-85 -62.65 -27.55 69.3 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.265 176.16 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -153.74 118.43 4.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.394 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.4 t -108.69 -48.29 3.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -128.21 158.63 37.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.47 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.57 68.25 3.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 130' ' ' ASP . 22.2 p-10 -96.28 35.69 1.43 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.203 -0.498 . . . . 0.0 112.035 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.554 HG21 ' HA ' ' A' ' 31' ' ' ASP . 46.3 mm -96.02 -73.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 6.5 m -67.33 -24.93 65.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.304 0.573 . . . . 0.0 110.845 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 127' ' ' ASN . 25.1 t70 -69.3 -17.21 63.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.456 ' HG ' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -77.07 -14.01 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.068 -175.034 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.793 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? -136.49 -179.7 5.84 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 137' ' ' ILE . 30.3 p -129.76 152.92 48.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.542 -169.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.995 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.8 t70 -49.96 -27.15 4.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.991 167.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -71.66 -31.84 67.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.458 177.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.793 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -77.81 -28.96 50.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -175.149 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.995 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.1 mp -54.84 -40.12 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.55 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 24.7 m-80 -65.93 -41.94 90.71 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.565 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.9 mp -63.38 -42.62 96.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.46 -51.55 62.48 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.057 -176.537 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.561 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.2 mm -50.68 -45.71 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.27 -50.09 61.75 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.161 -175.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.474 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 61.8 t80 -57.19 -47.24 81.75 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 121.974 0.892 . . . . 0.0 110.243 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 59.1 mt -65.98 -44.29 85.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.505 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' ILE . 21.5 mt-10 -53.17 -24.27 10.38 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.005 0.815 . . . . 0.0 112.84 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 28.1 mmtp -49.34 -38.63 28.68 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.462 170.083 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.26 -12.97 7.78 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.057 0.932 . . . . 0.0 110.177 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -99.72 177.03 5.26 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.349 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.62 ' HA ' HG22 ' A' ' 20' ' ' ILE . 10.8 t-20 . . . . . 0 C--O 1.25 1.129 0 O-C-N 125.416 1.697 . . . . 0.0 109.245 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.59 0.233 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.2 55.78 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -64.27 116.23 5.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.264 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -101.22 132.23 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 mp 62.9 -168.89 0.19 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.555 0.534 . . . . 0.0 111.439 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.842 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.2 p-10 32.9 74.1 0.06 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.311 1.044 . . . . 0.0 113.651 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -143.89 -77.51 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.23 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -144.78 -68.85 0.3 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.3 m-20 52.06 40.82 29.27 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.688 -179.225 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 79.6 0.08 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.754 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -73.08 -41.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.253 -179.546 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.643 ' CE1' ' HD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -51.0 150.56 2.99 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.84 0.829 . . . . 0.0 112.912 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -108.55 -52.34 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.487 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.655 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.24 -0.42 32.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.104 -177.605 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -47.16 -60.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.564 0.697 . . . . 0.0 109.649 168.295 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' H ' HG13 ' A' ' 15' ' ' VAL . 12.6 t70 -102.29 19.12 19.35 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.134 -171.587 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.655 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 23.2 t70 -53.42 -35.67 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.156 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.73 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 16.1 t70 75.82 -20.13 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.908 174.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' C ' HD13 ' A' ' 148' ' ' LEU . 16.1 ptpt -131.13 172.84 11.65 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.14 0.495 . . . . 0.0 111.623 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.734 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.7 tp -75.32 134.03 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -99.31 -167.94 1.55 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 121.545 0.688 . . . . 0.0 112.078 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -70.15 161.9 29.34 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.187 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 137' ' ' ILE . 99.0 mtt180 -54.63 -41.61 70.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.948 0.88 . . . . 0.0 109.413 168.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.75 -6.38 46.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.458 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.3 t -103.82 -12.35 16.98 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.102 -171.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.591 HG23 HD23 ' A' ' 29' ' ' LEU . 21.3 mm -89.07 -6.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.71 -56.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.098 -1.865 . . . . 0.0 109.637 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.94 -32.64 63.6 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 53' ' ' LEU . 23.6 tp -49.3 -49.52 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 112.765 -2.016 . . . . 0.0 113.432 -176.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 30' ' ' ILE . 2.3 mm -60.25 -30.5 46.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.17 0.509 . . . . 0.0 110.736 -177.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.81 -44.91 54.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.7 -50.78 72.61 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 54' ' ' TYR . 75.6 t80 -63.02 -57.32 11.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.851 -175.728 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.607 HG21 HG22 ' A' ' 128' ' ' ILE . 36.0 mm -49.52 -47.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.238 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 63.5 m -65.12 -35.64 81.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.094 0.473 . . . . 0.0 110.816 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.7 t90 -67.67 -38.65 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.769 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -54.88 -30.17 57.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.404 0.621 . . . . 0.0 109.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 23.1 t-20 -82.47 -45.21 15.04 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.62 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.5 -42.3 61.59 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.081 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.932 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 12.2 t -56.52 -30.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.712 0.767 . . . . 0.0 110.15 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.531 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.3 mm -86.67 -66.95 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.486 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -49.7 -53.0 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.898 -178.392 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.842 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 2.8 m-85 -85.81 -5.0 59.31 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.14 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 63.4 t30 57.52 45.0 20.22 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.56 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.932 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 54.9 mtpt -79.29 -158.92 0.17 Allowed 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.133 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 18.2 m-20 -121.74 132.22 54.5 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.362 -177.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.527 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.6 tp -70.86 -27.55 30.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.286 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -80.64 -11.13 59.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.375 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -93.24 82.47 4.52 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.088 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 14.2 t -177.94 -169.57 0.21 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.712 175.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.605 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -89.24 -150.98 23.6 Favored Glycine 0 C--O 1.213 -1.212 0 CA-C-O 121.737 0.632 . . . . 0.0 114.564 -170.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.73 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 43.7 mtt180 -85.09 -44.99 12.5 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.831 0.824 . . . . 0.0 112.05 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -49.86 -46.35 51.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.491 -171.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.674 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -67.47 -37.05 82.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.57 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HE2' ' HE1' ' A' ' 54' ' ' TYR . 40.0 mmtt -46.54 -34.63 5.04 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.473 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.6 tp10 -73.96 -38.72 64.11 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.412 0.625 . . . . 0.0 110.459 -176.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.2 mm? -56.98 -36.38 70.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.287 172.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.469 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 53.2 mtt -55.55 -33.0 63.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.522 0.677 . . . . 0.0 110.428 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 58.5 mttt -72.5 -14.32 61.63 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.1 m-30 -81.78 -17.06 48.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.111 0.957 . . . . 0.0 109.041 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 65' ' ' ILE . 11.9 t70 -69.85 -42.18 73.88 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.182 -1.372 . . . . 0.0 107.617 172.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.792 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.2 t70 -75.67 -41.41 53.99 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 112.536 -2.12 . . . . 0.0 110.612 -174.024 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -60.28 -33.85 55.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.686 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.23 -42.73 62.25 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.975 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.1 mt -58.09 -35.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.491 0.663 . . . . 0.0 110.421 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -67.88 -43.85 78.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.764 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.652 ' OH ' HG21 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -88.11 -68.4 0.76 Allowed 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.206 -168.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -71.24 -34.4 70.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.55 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.26 138.03 10.11 Favored Glycine 0 N--CA 1.435 -1.431 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.379 175.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.64 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -59.24 -42.94 88.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.749 -0.725 . . . . 0.0 110.477 -174.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 19.7 t70 -56.9 -52.11 66.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.015 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -64.36 -43.07 95.67 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.222 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 104' ' ' ILE . 34.3 mt -57.0 -47.92 82.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.653 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.15 -45.66 72.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.99 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 45.5 mt-10 -70.06 -35.78 74.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.729 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.808 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -71.05 -53.17 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.689 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.697 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.65 -52.75 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.545 0.688 . . . . 0.0 111.328 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 77' ' ' VAL . 26.7 mt-10 -61.35 -34.57 75.51 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.495 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.82 76.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.707 0.289 . . . . 0.0 110.743 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.808 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.4 mmt -46.08 -34.14 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.018 173.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.601 ' HB3' HG21 ' A' ' 117' ' ' ILE . 15.8 m -73.27 -15.19 61.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.024 -171.19 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.5 -9.71 19.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.54 23.65 57.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.163 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.56 117.42 12.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -151.19 -165.61 2.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.672 0.272 . . . . 0.0 111.616 -174.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -89.98 0.59 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.568 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD11 ' HE1' ' A' ' 80' ' ' MET . 1.9 mp 70.29 107.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.717 0.77 . . . . 0.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -111.77 22.08 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.477 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 62.22 -164.45 0.25 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.747 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 92' ' ' VAL . 16.8 p -83.66 115.07 21.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.913 0.387 . . . . 0.0 110.697 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.38 -62.95 1.34 Allowed 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 171.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG21 ' OH ' ' A' ' 67' ' ' TYR . 18.6 m -90.03 143.28 11.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.256 169.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -110.76 44.52 1.26 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.2 t70 -113.09 165.88 11.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.282 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.9 tt0 -53.38 -43.58 67.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -169.417 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.98 -37.75 74.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.953 0.406 . . . . 0.0 111.246 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.2 t -80.89 -30.22 35.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 101' ' ' THR . 77.6 mt -60.26 -46.51 89.55 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.312 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' PHE . 10.2 m-30 -66.93 -40.62 87.64 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.94 0.4 . . . . 0.0 111.451 173.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.539 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -36.07 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.411 -175.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 98' ' ' LEU . 7.3 t -71.32 -22.15 61.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.939 -175.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.34 -52.86 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.15 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.81 -37.75 93.69 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.458 -175.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 73' ' ' ILE . 6.1 tp -59.43 -41.9 85.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.197 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.736 ' HA ' HD12 ' A' ' 108' ' ' ILE . 54.2 m -72.73 -24.89 61.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.394 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.42 77.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.561 0.22 . . . . 0.0 111.14 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 73' ' ' ILE . 60.8 mttm -69.37 -30.08 68.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.423 0.63 . . . . 0.0 110.722 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 105' ' ' CYS . 60.7 mt -69.73 -50.13 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.281 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG23 ' A' ' 34' ' ' ILE . 8.8 t -63.61 -34.41 77.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.674 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 41' ' ' ILE . 24.4 pt-20 -79.65 -39.01 32.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.41 -35.11 62.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.171 0.51 . . . . 0.0 110.734 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.3 m0 -70.46 -19.83 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -50.28 -58.28 9.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -167.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.412 ' CE2' HG23 ' A' ' 41' ' ' ILE . 45.9 m-85 -54.92 -48.64 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -165.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' CG ' HG12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -111.23 4.97 19.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.089 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 37.6 mtmm 56.78 69.49 0.74 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.723 0.773 . . . . 0.0 109.894 -172.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 81' ' ' SER . 11.1 mt -73.18 159.0 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.82 -172.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 117' ' ' ILE . 8.5 t 88.1 -56.89 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 171.1 -41.67 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 116' ' ' LYS . 24.2 t 33.75 54.59 0.53 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.347 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.63 123.26 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.543 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 69.39 -67.52 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.715 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -128.55 148.48 50.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 m -76.02 73.16 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 125' ' ' LEU . 2.5 pp -64.88 145.22 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.822 -175.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.83 -168.04 31.12 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ASN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 131' ' ' LEU . 50.7 m-20 -83.8 84.15 7.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.801 HG13 ' H ' ' A' ' 129' ' ' THR . 8.3 pt -100.63 -89.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.091 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.801 ' H ' HG13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -71.32 -24.88 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.03 0.443 . . . . 0.0 111.377 177.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.61 -8.38 58.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.277 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -90.63 -16.22 29.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.139 0.495 . . . . 0.0 111.009 -174.494 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.572 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.5 ppp? -129.95 169.13 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.661 ' O ' HD12 ' A' ' 137' ' ' ILE . 15.5 p -126.83 158.61 36.21 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.843 -167.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 137' ' ' ILE . 7.3 t70 -48.42 -32.88 8.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.191 168.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.47 -27.15 63.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.572 0.701 . . . . 0.0 109.408 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 139' ' ' ILE . 12.6 t-20 -79.56 -30.81 41.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.12 -177.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -59.03 -37.93 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.134 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.502 ' O ' HD13 ' A' ' 142' ' ' LEU . 19.3 m-80 -64.27 -43.35 95.09 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.484 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.5 mt -63.27 -41.32 92.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.84 0.829 . . . . 0.0 109.137 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.803 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.02 -53.85 49.76 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.918 -177.837 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.598 ' HA ' HD11 ' A' ' 20' ' ' ILE . 20.0 mm -50.18 -43.87 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 176.098 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -66.92 -49.84 64.27 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.838 -175.451 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.89 -48.21 78.69 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.879 0.847 . . . . 0.0 110.359 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 27.7 mt -64.84 -43.14 94.04 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.078 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 32.5 mt-10 -53.63 -25.93 19.88 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.542 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 35.8 mttp -51.75 -38.99 57.7 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.805 172.758 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.509 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -118.13 -17.58 9.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.376 1.084 . . . . 0.0 109.602 -176.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.734 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.8 179.04 5.73 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.778 175.162 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 123.915 0.759 . . . . 0.0 110.189 -166.844 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.76 0.314 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.54 118.17 4.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.88 0.372 . . . . 0.0 110.87 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.67 99.17 12.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 175.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -73.79 143.57 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -173.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.7 75.46 8.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.7 150.03 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.052 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.73 ' HB3' ' HB3' ' A' ' 43' ' ' PHE . 66.6 m-85 -140.73 124.23 16.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.017 0.437 . . . . 0.0 112.152 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 1.004 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 38.6 mt-10 -125.62 -72.62 0.65 Allowed 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.962 169.639 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.52 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER 56.87 40.31 28.99 Favored 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 124.292 0.995 . . . . 0.0 109.096 -172.1 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.655 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -70.61 65.51 0.31 Allowed 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 123.246 1.498 . . . . 0.0 112.237 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -57.15 -44.61 83.67 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.226 0 CA-C-N 111.514 -2.585 . . . . 0.0 111.612 173.461 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.655 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.88 145.86 9.2 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.96 0.885 . . . . 0.0 113.036 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -101.7 -53.08 3.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.262 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -81.79 -2.29 50.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.388 -175.049 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.5 p -42.48 -48.69 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 172.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 31.1 t70 -115.54 19.51 15.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.833 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.738 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 21.9 t70 -53.59 -33.94 56.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.874 -173.047 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.699 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.0 t70 72.7 -27.43 0.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.236 177.079 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.6 pttp -115.74 172.51 7.08 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.524 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.699 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 8.2 tp -82.27 139.28 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.403 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 4.8 m -102.67 -169.14 1.62 Allowed 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 121.532 0.682 . . . . 0.0 111.751 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -69.39 161.34 29.6 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.555 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 23' ' ' ARG . 51.7 mtp180 -53.96 -41.75 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.05 0.929 . . . . 0.0 109.342 167.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.26 -4.89 38.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.785 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.2 t -97.99 -21.84 16.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.569 HD13 HD22 ' A' ' 29' ' ' LEU . 28.0 mm -75.62 -11.74 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 122.603 1.192 . . . . 0.0 108.189 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.98 -55.9 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.021 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.4 -33.45 65.0 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.508 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 53' ' ' LEU . 25.7 tp -50.99 -51.46 52.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.668 -2.06 . . . . 0.0 113.221 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.541 HG13 ' HG2' ' A' ' 132' ' ' MET . 7.1 mm -60.84 -34.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.287 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.25 -44.87 71.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.596 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.5 mm-40 -58.25 -51.82 68.17 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.621 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.542 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 69.6 t80 -61.5 -55.26 32.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.059 0.457 . . . . 0.0 110.454 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.17 -24.82 18.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.386 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 57.8 m -81.61 -38.54 25.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.053 -1.029 . . . . 0.0 110.896 170.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' HD1' ' CE1' ' A' ' 12' ' ' PHE . 71.3 t90 -66.13 -53.48 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.698 ' NH2' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.61 3.68 9.09 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.466 -176.354 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.698 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 22.5 t-20 -85.75 -47.23 9.95 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.771 165.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.525 ' HA ' HG23 ' A' ' 42' ' ' VAL . 9.8 m170 -55.15 -31.89 61.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.744 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 14.5 t -60.34 -24.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.659 0.742 . . . . 0.0 110.078 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.2 mm -92.15 -64.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.998 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.525 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.79 -48.86 37.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.957 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.73 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 2.9 m-85 -90.38 -8.65 50.13 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.444 -176.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.0 t-20 49.7 53.08 13.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.318 -173.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.004 ' HE2' ' HA ' ' A' ' 8' ' ' GLU . 7.4 mtpm? -76.56 -150.12 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.346 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 9.2 m-20 -125.54 135.36 52.17 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.729 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.3 tp -71.47 -29.04 33.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 122.051 0.929 . . . . 0.0 110.757 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.3 p -75.81 -17.13 59.97 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.034 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.574 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 30.6 t -84.25 82.99 8.13 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.076 -1.875 . . . . 0.0 110.348 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.0 p -174.16 -166.06 0.26 Allowed 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.206 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -108.24 -164.18 21.09 Favored Glycine 0 N--CA 1.44 -1.084 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.829 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.699 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 51.7 mtt180 -73.85 -45.72 49.32 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.334 0.588 . . . . 0.0 112.102 -173.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 29' ' ' LEU . 5.7 tt -50.65 -42.08 56.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.124 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.4 m-30 -69.45 -31.12 69.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -173.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 60.1 mmtt -58.2 -35.66 71.95 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 123.383 0.427 . . . . 0.0 110.115 -176.387 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HG3' ' HE2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -72.0 -37.06 69.88 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.018 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -58.82 -38.12 77.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 174.243 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 44.3 mtt -58.01 -32.37 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.298 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 56.2 mttt -74.68 -13.2 60.59 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.476 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.4 m-30 -77.64 -14.8 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.213 1.006 . . . . 0.0 109.324 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 58' ' ' MET . 16.5 t70 -68.55 -46.35 69.71 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.094 -1.412 . . . . 0.0 108.346 169.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.696 ' HA ' HD12 ' A' ' 65' ' ' ILE . 19.5 t70 -70.32 -42.57 71.77 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 112.063 -2.335 . . . . 0.0 110.361 -173.193 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -62.52 -34.71 66.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.193 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.53 65.52 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.234 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 62' ' ' ASP . 45.0 mt -59.47 -35.72 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.765 0.793 . . . . 0.0 110.048 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 27.5 tpt180 -65.18 -48.93 71.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.549 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.471 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -79.33 -72.2 0.4 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.769 -170.366 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.39 -38.34 71.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.742 -175.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 110.71 141.12 8.67 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 174.066 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -59.46 -45.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.861 -0.669 . . . . 0.0 110.136 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 27.1 t70 -59.57 -51.48 69.65 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.3 OUTLIER -58.53 -46.48 86.69 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.428 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.744 HG12 HD13 ' A' ' 104' ' ' ILE . 45.2 mt -60.18 -46.47 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.779 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -54.36 -48.67 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.409 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.9 mt-10 -64.14 -45.03 90.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.851 0.834 . . . . 0.0 109.749 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.598 ' O ' ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -67.92 -52.5 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.205 0 CA-C-N 113.891 -1.504 . . . . 0.0 112.838 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 1.025 HG23 ' HA ' ' A' ' 108' ' ' ILE . 6.4 p -52.77 -54.22 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.567 0.698 . . . . 0.0 111.904 -175.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 77' ' ' VAL . 49.3 mt-10 -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.308 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.529 ' HB1' ' ND1' ' A' ' 85' ' ' HIS . . . -67.92 -47.87 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.598 ' HE2' ' O ' ' A' ' 76' ' ' ILE . 10.3 mmt -50.5 -24.89 3.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m -66.27 -17.39 64.72 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.292 0.568 . . . . 0.0 110.512 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -97.06 -9.24 28.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.791 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.71 69.58 1.25 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.678 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -141.55 -63.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.529 ' ND1' ' HB1' ' A' ' 79' ' ' ALA . 13.8 m80 -83.63 -167.86 1.89 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.831 0.824 . . . . 0.0 112.919 -169.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HA ' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER 76.35 150.43 0.11 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 113.443 -1.708 . . . . 0.0 113.129 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 86' ' ' TYR . 2.1 mp -138.31 -75.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.084 -165.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.46 175.06 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.139 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.696 ' HB3' HG23 ' A' ' 101' ' ' THR . 90.3 m-85 -122.6 -66.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.439 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.1 p -80.23 120.79 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 0.0 110.623 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -76.6 -60.13 2.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.527 0.679 . . . . 0.0 109.493 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.42 149.39 19.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.761 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -77.22 87.41 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.975 0.417 . . . . 0.0 109.907 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 29.1 t70 -155.66 147.59 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.039 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 98' ' ' LEU . 58.0 tt0 -48.56 -46.99 39.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.4 tt0 -56.34 -42.1 77.16 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 111.162 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.1 t -78.43 -29.15 46.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 95' ' ' GLN . 90.7 mt -61.83 -49.96 74.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.433 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -64.2 -41.22 97.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.104 0.478 . . . . 0.0 110.754 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.37 -31.0 65.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.755 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 89' ' ' PHE . 99.3 m -66.69 -33.05 74.78 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.079 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.763 HG13 HD21 ' A' ' 131' ' ' LEU . 2.1 mp -69.77 -52.4 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -67.06 -40.71 93.12 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.773 -0.727 . . . . 0.0 114.132 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 73' ' ' ILE . 6.0 tp -58.51 -43.78 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.652 ' O ' HG22 ' A' ' 109' ' ' THR . 77.2 m -72.43 -25.34 61.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.832 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -68.67 -52.48 30.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 15.0 tptt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.442 0.639 . . . . 0.0 110.274 -170.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.025 ' HA ' HG23 ' A' ' 77' ' ' VAL . 23.7 mt -67.87 -54.82 19.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.884 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 105' ' ' CYS . 0.6 OUTLIER -69.44 -26.18 64.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -174.103 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.1 pt-20 -78.9 -34.09 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.772 -0.58 . . . . 0.0 111.82 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.55 -27.39 57.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.474 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.493 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 47.2 m0 -70.14 -19.51 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.362 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.48 98.93 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 121.314 -0.469 . . . . 0.0 114.059 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.4 m-85 -55.55 -60.21 3.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -110.79 11.39 22.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.895 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 61.91 74.56 0.44 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.829 0.823 . . . . 0.0 110.374 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -91.98 158.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.999 -174.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.9 t 74.22 76.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.765 0.793 . . . . 0.0 110.472 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.22 70.67 5.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -62.81 95.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.672 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.67 -89.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.231 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.77 -18.14 4.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.654 0.264 . . . . 0.0 111.287 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -135.89 119.52 17.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.769 0.319 . . . . 0.0 110.464 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 t -66.42 120.27 13.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.861 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 pp -112.22 153.2 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.68 -118.7 1.83 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -144.34 161.04 39.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.37 -167.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.055 0.222 . . . . 0.0 111.427 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 132' ' ' MET . 5.1 m -59.18 -24.08 62.78 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.746 0.419 . . . . 0.0 111.95 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.22 -18.81 17.65 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -72.55 -16.01 61.76 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.358 0.599 . . . . 0.0 110.867 -178.091 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.559 ' CE ' HG13 ' A' ' 137' ' ' ILE . 4.4 ppp? -123.11 159.81 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.7 p -92.76 -176.11 4.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.725 -168.566 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.731 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -81.91 -37.34 26.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 -175.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.57 -22.42 60.99 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 111.613 -2.539 . . . . 0.0 109.683 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 36.6 t30 -76.96 -26.15 53.63 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mt -58.52 -42.76 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.596 173.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 142' ' ' LEU . 35.4 m-80 -73.85 -38.49 64.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.717 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.93 -40.07 85.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.706 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.36 -52.26 62.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.805 -177.495 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.3 mm -51.22 -45.17 31.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.253 0.549 . . . . 0.0 109.759 175.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.05 -47.58 70.88 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.655 -175.091 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' PHE . . . . . 0.559 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 62.9 t80 -56.61 -47.74 78.97 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 122.131 0.967 . . . . 0.0 110.402 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.5 mt -68.22 -42.66 79.48 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.251 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.637 ' HG3' HG12 ' A' ' 20' ' ' ILE . 16.4 mt-10 -53.87 -24.8 17.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 123.904 0.752 . . . . 0.0 112.37 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 29.2 mmtp -48.02 -43.03 29.72 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.034 171.382 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 1.3 mttt -115.97 -11.62 11.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.154 0.978 . . . . 0.0 109.987 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.699 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -96.59 -179.98 4.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.712 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.248 0.996 0 O-C-N 124.197 0.935 . . . . 0.0 110.087 -172.716 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 tpp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.866 0.365 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.24 101.4 11.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.887 0.375 . . . . 0.0 110.447 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -90.07 149.36 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 56.01 78.76 0.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.765 0.665 . . . . 0.0 111.214 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.8 mt -87.13 42.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.398 0.618 . . . . 0.0 109.405 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.876 ' HB2' ' HA ' ' A' ' 43' ' ' PHE . 7.3 p-10 -147.32 77.67 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.166 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -140.81 -62.6 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.498 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 74.9 mt-10 -136.88 -82.14 0.37 Allowed 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 51.17 31.97 7.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.592 1.183 . . . . 0.0 109.948 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 78.7 0.57 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 122.726 1.251 . . . . 0.0 112.195 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -65.1 -44.23 95.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.455 175.328 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.53 149.13 6.12 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.17 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.0 -53.11 2.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.403 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -70.65 -6.92 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.761 -177.07 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.8 p -45.06 -47.12 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.052 169.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . 0.628 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.0 t70 -116.31 18.74 15.14 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.756 -175.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.2 t0 -53.96 -36.0 62.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.37 -172.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.773 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.7 t70 73.06 -29.41 0.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.424 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.2 ptmt -119.67 170.88 8.8 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.833 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.5 tp -84.64 137.8 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.718 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -115.15 -163.19 0.86 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 121.502 0.668 . . . . 0.0 111.968 -178.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -67.27 159.6 28.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.272 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 137' ' ' ILE . 70.7 mtm180 -55.02 -39.43 69.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.001 0.905 . . . . 0.0 109.449 167.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.34 -8.32 49.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.324 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.9 t -100.82 -11.3 19.95 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.38 -172.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.547 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 18.9 mm -92.05 -9.35 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.62 -54.87 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.597 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 4.4 t70 -71.01 -27.82 63.96 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 113.622 -1.627 . . . . 0.0 108.396 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.642 ' HB2' ' O ' ' A' ' 25' ' ' SER . 22.2 tp -64.09 -49.36 72.55 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 111.955 -2.384 . . . . 0.0 111.861 -171.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 30' ' ' ILE . 2.9 mm -59.75 -28.14 39.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.501 0.667 . . . . 0.0 109.932 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.64 -44.94 40.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.79 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -59.41 -50.35 74.29 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 174.261 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 87.4 t80 -64.58 -58.14 7.16 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -166.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 HG21 ' A' ' 109' ' ' THR . 41.3 mm -51.78 -42.91 33.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.273 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -67.16 -33.85 76.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.75 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.0 t90 -68.32 -43.66 77.1 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.619 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 15.8 mmm180 -52.31 -45.65 65.67 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.5 t-20 -60.67 -49.5 77.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.949 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -51.1 -37.25 44.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.396 -179.283 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 15.7 t -67.02 -25.44 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.684 0.754 . . . . 0.0 110.75 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' ARG . 20.8 mm -89.02 -62.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.569 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.72 -48.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.02 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.876 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 2.0 m-85 -86.42 -9.16 56.85 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.075 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.7 t-20 48.65 55.81 8.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.067 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 53.9 mtpt -80.73 -143.14 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.186 -1.37 . . . . 0.0 108.758 176.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.47 135.93 42.83 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.344 0.593 . . . . 0.0 110.672 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.455 HD11 ' SD ' ' A' ' 58' ' ' MET . 1.5 tp -74.99 -31.68 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.713 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -74.2 -19.65 60.46 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.274 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -83.87 82.01 8.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 113.014 -1.903 . . . . 0.0 109.81 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.0 p -170.88 -168.76 0.7 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.253 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.628 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -109.92 -173.02 20.51 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.736 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.773 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 12.4 mtt180 -70.31 -42.09 72.45 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.609 0.719 . . . . 0.0 111.57 -170.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.43 -49.96 60.66 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.982 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.743 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.3 m-30 -60.27 -42.23 94.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 53.5 mmtt -48.28 -39.17 20.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.676 ' HG3' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.58 -34.79 70.23 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.439 -177.729 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.806 0.336 . . . . 0.0 111.433 172.557 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.544 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 31.4 mtt -62.8 -45.38 92.9 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 84.4 mttt -48.07 -16.44 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.611 -1.632 . . . . 0.0 113.855 171.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.676 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.0 m-30 -85.23 -18.9 32.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.844 0.83 . . . . 0.0 109.99 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.613 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 38.3 t70 -70.92 -38.38 72.94 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 65' ' ' ILE . 23.5 t70 -74.68 -41.1 60.89 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 112.145 -2.298 . . . . 0.0 109.99 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -64.48 -33.1 60.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.723 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.68 -45.47 58.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.874 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.67 HG23 ' HB ' ' A' ' 70' ' ' ILE . 60.7 mt -55.62 -35.64 39.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 171.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -68.58 -44.11 75.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.626 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.2 OUTLIER -83.74 -69.87 0.61 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.641 -171.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.67 -38.71 73.8 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.836 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.91 138.57 8.37 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.053 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.4 tp -58.37 -44.68 89.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.898 -0.651 . . . . 0.0 109.825 -176.314 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.71 -51.77 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.498 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -60.73 -45.81 92.84 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.323 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 104' ' ' ILE . 40.2 mt -57.98 -46.8 87.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.803 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -54.04 -48.34 70.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.371 0.605 . . . . 0.0 110.808 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.37 -41.91 98.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.136 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.755 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -73.48 -52.88 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.91 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.966 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.4 p -52.02 -50.83 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.054 0.931 . . . . 0.0 111.869 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 77' ' ' VAL . 43.0 mt-10 -62.67 -34.52 77.27 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.022 -1.444 . . . . 0.0 112.384 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB1' ' CD2' ' A' ' 85' ' ' HIS . . . -66.48 -37.34 84.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.275 174.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' MET . . . . . 0.755 ' HE3' HG23 ' A' ' 76' ' ' ILE . 17.6 mmt -49.52 -14.03 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 172.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p -67.09 -26.81 66.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.617 0.722 . . . . 0.0 109.543 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.73 -16.86 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.57 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.61 32.04 72.57 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.669 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -160.34 76.41 0.6 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.34 0.57 . . . . 0.0 112.15 -175.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.481 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 80.4 m-70 -149.38 -65.15 0.22 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 175.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CE1' HG12 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -64.28 156.14 29.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -166.501 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -120.82 -96.6 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.081 -164.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 19.0 m120 -142.66 -63.47 0.42 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.886 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HB3' ' H ' ' A' ' 90' ' ' THR . 74.2 m-85 71.64 -157.32 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 111.313 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.473 ' H ' ' HB3' ' A' ' 89' ' ' PHE . 56.8 p 51.19 69.68 0.62 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.727 0.775 . . . . 0.0 111.449 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 20.0 tptm -82.41 -69.47 0.62 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.111 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -57.24 -31.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.855 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.7 t60 61.49 80.48 0.22 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.426 0.631 . . . . 0.0 111.786 168.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -125.98 158.63 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.428 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -46.1 -41.03 11.76 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.85 -42.18 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.876 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 10.1 t -78.89 -31.91 45.63 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.3 -51.77 65.62 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.513 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.5 m-30 -63.12 -40.73 98.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.142 0.496 . . . . 0.0 111.206 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.2 -38.24 73.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.035 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 131' ' ' LEU . 20.7 m -59.84 -34.14 72.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.587 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.638 HG13 HD21 ' A' ' 131' ' ' LEU . 2.1 mp -70.12 -52.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.23 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . 0.613 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.39 -42.46 95.96 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.844 -0.693 . . . . 0.0 114.068 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 73' ' ' ILE . 4.8 tp -56.54 -46.81 82.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 109.964 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HA ' HD12 ' A' ' 108' ' ' ILE . 73.4 m -71.75 -25.25 61.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.32 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.23 -41.23 73.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.069 0.461 . . . . 0.0 110.085 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.36 75.79 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.064 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.966 ' HA ' HG23 ' A' ' 77' ' ' VAL . 37.4 mt -66.35 -52.99 40.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.847 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.727 HG21 HG23 ' A' ' 34' ' ' ILE . 10.9 t -66.03 -31.82 72.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.021 -173.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.619 ' HB3' ' HB3' ' A' ' 37' ' ' ARG . 8.9 pt-20 -75.24 -46.59 32.81 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 122.217 -0.302 . . . . 0.0 111.805 -176.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -53.47 -35.56 60.68 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.981 0.42 . . . . 0.0 111.629 -172.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' TRP . . . . . 0.516 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 51.9 m0 -58.32 -18.92 30.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -69.58 -36.2 76.01 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.212 -0.518 . . . . 0.0 114.084 -168.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CE1' HG23 ' A' ' 41' ' ' ILE . 26.9 m-85 -58.53 -61.7 2.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.406 0.603 . . . . 0.0 111.644 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -111.5 14.99 21.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.9 mttm 64.24 71.83 0.47 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.596 0.56 . . . . 0.0 111.05 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.7 mt -95.06 157.35 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t 71.5 -171.74 0.16 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.791 0.682 . . . . 0.0 110.528 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 57.09 49.03 14.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -79.3 161.0 26.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? 70.4 -75.6 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.791 0.682 . . . . 0.0 109.588 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -175.37 114.78 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.314 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -163.71 140.07 6.78 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 172.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -156.59 34.5 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.9 mt -132.45 137.78 47.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.16 -174.317 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 170.65 103.76 0.17 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.142 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -95.32 103.08 14.93 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.505 HG21 HG13 ' A' ' 34' ' ' ILE . 17.3 tt -82.34 -7.0 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.119 -173.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.3 m -58.71 -23.78 60.27 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.579 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.52 -9.44 58.21 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.638 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -80.02 -15.32 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.319 0.581 . . . . 0.0 110.565 -176.679 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 132' ' ' MET . . . . . 0.573 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -137.37 179.32 6.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.855 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 137' ' ' ILE . 18.0 p -132.81 154.71 50.03 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.272 -170.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . 0.958 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.8 OUTLIER -50.88 -27.66 7.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 170.488 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.62 -30.38 65.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.471 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . 0.573 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 0.2 OUTLIER -78.14 -28.89 48.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -176.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -58.06 -37.4 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.821 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 142' ' ' LEU . 26.3 m-80 -62.24 -44.91 95.49 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.487 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.92 -42.05 93.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.718 0.771 . . . . 0.0 108.955 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.6 -53.85 48.45 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.397 -176.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.618 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.2 mm -50.95 -44.92 28.18 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-O 121.274 0.559 . . . . 0.0 109.808 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -66.34 -48.65 69.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.864 -176.594 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -56.4 -46.67 80.05 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 122.052 0.929 . . . . 0.0 110.438 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' LEU . . . . . 0.75 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 50.7 mt -67.68 -43.41 80.22 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.36 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 20' ' ' ILE . 14.6 mt-10 -52.55 -23.96 7.31 Favored 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 124.063 0.852 . . . . 0.0 112.795 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' LYS . . . . . 0.613 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 72.5 mmtt -48.5 -39.39 23.0 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.021 172.384 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.613 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -119.47 -29.3 5.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 122.448 1.118 . . . . 0.0 109.789 178.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.756 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.45 177.33 6.04 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 113.109 -1.86 . . . . 0.0 109.69 172.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 20' ' ' ILE . 51.7 t30 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.02 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.436 -1.157 0 CA-C-O 120.742 0.306 . . . . 0.0 111.348 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.825 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.38 142.03 18.27 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.837 0.827 . . . . 0.0 112.612 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -104.03 -47.3 4.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.421 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -83.58 -4.91 58.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.166 -176.147 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -42.37 -49.08 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.917 172.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 38.1 t70 -115.27 20.01 15.18 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.861 0.865 . . . . 0.0 110.602 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 9.4 t0 -49.84 -41.03 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.793 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.608 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 9.9 t70 78.06 -22.61 0.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.89 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG2' ' OD1' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -132.29 170.91 14.39 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 121.068 0.461 . . . . 0.0 111.216 -178.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.7 tp -75.08 139.26 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.584 -174.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.3 m -106.64 -168.47 1.42 Allowed 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 121.492 0.663 . . . . 0.0 111.809 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -74.27 163.71 27.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.235 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 137' ' ' ILE . 40.9 mtp180 -52.82 -42.99 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.834 0.826 . . . . 0.0 109.56 167.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HA ' HG13 ' A' ' 27' ' ' ILE . 25.2 t70 -71.59 -7.53 48.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.132 -174.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 14.9 t -96.31 -26.47 15.37 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 19.7 mm -80.72 -8.89 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.538 1.161 . . . . 0.0 108.058 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 23' ' ' ARG . 44.7 mm -69.56 -56.0 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 113.154 -1.839 . . . . 0.0 109.621 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -74.07 -31.28 62.78 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 114.535 -1.212 . . . . 0.0 108.946 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 53' ' ' LEU . 30.0 tp -50.29 -49.67 52.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.854 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 30' ' ' ILE . 6.8 mm -60.2 -35.57 62.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.378 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.5 -47.59 69.53 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -58.51 -50.61 73.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 66.2 t80 -64.97 -55.4 19.3 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 120.746 0.308 . . . . 0.0 111.632 -174.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.4 mm -53.68 -33.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.909 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 44.6 m -77.72 -35.32 52.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.894 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.6 t90 -67.28 -40.47 86.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.136 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.752 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.85 -29.97 30.99 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.493 0.663 . . . . 0.0 109.682 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 35' ' ' THR . 29.0 t-20 -81.88 -46.3 14.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.103 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' HG23 ' A' ' 42' ' ' VAL . 7.0 m170 -55.45 -34.98 64.97 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 13.5 t -61.19 -21.27 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.779 0.8 . . . . 0.0 110.155 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 110' ' ' GLU . 19.1 mm -99.04 -62.82 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.899 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -52.93 -52.36 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.985 -179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.4 m-85 -87.28 -11.23 50.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.172 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.711 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.4 t-20 49.13 57.05 6.88 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.391 -1.731 . . . . 0.0 110.608 -172.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.515 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 6.6 mtpm? -74.22 -135.9 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.65 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 3.3 t70 -135.3 151.12 50.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.702 177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.6 tp -78.81 -29.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.151 174.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -81.53 -16.08 52.86 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.561 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.7 t -73.03 82.2 1.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.349 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p 179.82 -170.42 0.14 Allowed 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.34 -165.27 19.29 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.723 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.608 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 42.8 mtt180 -68.78 -47.03 67.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.594 0.712 . . . . 0.0 111.731 -171.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.51 -44.06 56.03 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.82 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 1.9 m-30 -68.05 -31.77 71.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -174.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 51' ' ' GLY . 60.9 mmtt -60.77 -34.37 74.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.937 0.398 . . . . 0.0 109.997 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.84 -37.6 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.39 -178.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.58 -36.65 69.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.267 0.556 . . . . 0.0 110.628 173.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.653 ' HA ' HH21 ' A' ' 37' ' ' ARG . 44.6 mtt -59.86 -33.59 72.01 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 58.4 mttt -73.47 -13.23 61.02 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.043 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.616 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -79.21 -13.17 59.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.027 0.917 . . . . 0.0 109.597 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.752 ' HB2' HH22 ' A' ' 37' ' ' ARG . 6.3 t70 -67.3 -42.05 84.35 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 170.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.5 t70 -73.51 -42.8 61.32 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.737 -2.029 . . . . 0.0 110.689 -173.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.35 -34.74 62.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.982 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.36 -41.79 63.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.856 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.8 mt -57.83 -35.59 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.673 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -71.37 -43.85 66.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.084 0.468 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.3 OUTLIER -79.35 -68.82 0.63 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.451 -172.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.04 -37.4 64.31 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 102.97 142.78 12.41 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.767 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -57.06 -43.52 81.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 O-C-N 124.229 0.605 . . . . 0.0 109.496 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -55.08 -52.78 62.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.403 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.795 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.02 -43.92 86.21 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.561 -178.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.772 HG12 HD13 ' A' ' 104' ' ' ILE . 38.1 mt -57.61 -46.6 86.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -54.48 -48.35 71.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.938 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.78 -37.32 79.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.735 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.844 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.1 mp -69.15 -52.96 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.65 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.53 -50.97 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.642 0.734 . . . . 0.0 111.378 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 77' ' ' VAL . 88.1 mt-10 -58.2 -39.32 78.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.203 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.42 73.06 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.05 0.453 . . . . 0.0 110.093 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.844 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.0 mmt -48.88 -40.16 28.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.723 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.618 ' HB2' HG21 ' A' ' 117' ' ' ILE . 53.6 p . . . . . 0 N--CA 1.443 -0.824 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.473 -168.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.6 tt0 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.14 0.495 . . . . 0.0 110.801 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.9 tt0 -58.06 -39.41 78.38 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.722 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 20.8 t -77.64 -33.44 53.55 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.6 mt -55.42 -51.99 65.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.789 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.8 m-30 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.33 -33.32 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.173 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 30.8 m -66.08 -32.29 73.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -72.38 -53.65 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.71 -40.2 98.89 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.049 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.772 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.69 -39.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.12 -30.1 64.73 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.085 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.21 -36.16 71.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 110.516 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -68.56 -29.49 68.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.558 0.694 . . . . 0.0 109.909 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.511 ' HA ' HG23 ' A' ' 77' ' ' VAL . 39.0 mt -75.6 -48.86 28.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.6 t -62.0 -37.3 84.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.881 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.8 pt-20 -68.59 -49.61 58.02 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.186 -0.321 . . . . 0.0 111.113 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 41.9 t-80 -52.18 -34.41 45.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.608 -173.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.524 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 50.5 m0 -72.31 -21.73 61.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -55.47 -43.38 85.3 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 -168.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.421 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.2 m-30 -50.3 -54.84 18.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 117.37 0.585 . . . . 0.0 112.262 -170.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.579 ' CG ' HG12 ' A' ' 117' ' ' ILE . 3.1 ptpp? -111.44 9.56 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.15 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 58.55 63.37 1.71 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.612 0.72 . . . . 0.0 109.47 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 81' ' ' SER . 18.3 mt . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.202 -175.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.455 -0.217 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.1 p -130.48 156.05 45.43 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.39 -170.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.898 ' HA ' HD13 ' A' ' 137' ' ' ILE . 18.2 t70 -49.49 -29.87 7.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.297 0.57 . . . . 0.0 111.108 168.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 139' ' ' ILE . 10.7 t70 -70.77 -28.58 64.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.579 0.705 . . . . 0.0 109.324 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.4 t-20 -78.92 -31.39 45.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.78 -40.48 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.932 178.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.554 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.5 m-80 -63.82 -43.38 96.4 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.488 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.7 mt -63.27 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.811 0.815 . . . . 0.0 109.409 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.21 -51.91 65.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.886 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.597 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.2 mm -51.69 -43.89 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.418 0.627 . . . . 0.0 109.725 175.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.5 -48.46 69.73 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.683 -174.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -56.78 -47.14 80.82 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.948 0.88 . . . . 0.0 110.615 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.818 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 36.1 mt -66.95 -43.2 83.79 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.58 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.529 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.3 mt-10 -53.1 -25.15 12.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 124.145 0.903 . . . . 0.0 112.375 -176.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 11.5 mmmm -47.72 -39.26 17.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.816 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -121.6 -20.76 6.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 122.113 0.958 . . . . 0.0 110.376 177.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.818 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -79.83 178.49 8.16 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.734 -1.575 . . . . 0.0 111.706 178.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.179 -166.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.973 0 CA-C-O 120.757 0.313 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.885 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.04 138.03 31.75 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 178.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -106.22 -45.46 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.052 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -74.33 -6.93 50.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.167 -178.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.2 p -41.72 -47.28 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.066 171.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.543 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.9 t70 -116.34 18.87 15.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.847 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.852 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.7 t0 -51.88 -39.28 58.75 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 111.16 -175.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.811 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 19.1 t70 72.62 -24.04 0.2 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.648 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.1 pttp -115.99 171.86 7.52 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.407 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.746 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.3 tp -88.42 136.18 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.442 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 -163.7 0.88 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-O 121.508 0.67 . . . . 0.0 112.068 -176.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 t -64.2 159.54 20.46 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.785 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 44.5 mtt85 -51.66 -43.26 62.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.907 0.86 . . . . 0.0 109.359 167.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . 17.5 t70 -76.43 -0.39 22.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.975 -172.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 6.4 t -94.14 -26.53 16.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.182 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.548 HD13 HD22 ' A' ' 29' ' ' LEU . 25.4 mm -76.55 -13.11 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 CA-C-O 122.589 1.185 . . . . 0.0 108.172 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 24' ' ' ASP . 45.9 mm -68.75 -56.38 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.076 -1.875 . . . . 0.0 109.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -31.89 63.4 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.637 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 53' ' ' LEU . 32.7 tp -50.29 -49.91 52.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.324 -2.216 . . . . 0.0 113.226 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.87 -33.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 -48.41 64.29 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -58.31 -50.76 72.48 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.826 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 72.5 t80 -62.96 -56.18 19.36 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.952 0.406 . . . . 0.0 111.589 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 109' ' ' THR . 43.1 mm -56.37 -31.71 33.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.106 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 28.2 m -77.73 -36.37 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.828 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.611 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.7 t90 -66.97 -41.21 87.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.079 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 ' CD ' ' A' ' 110' ' ' GLU . 33.3 mmm-85 -54.26 -27.17 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.616 0.572 . . . . 0.0 109.821 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 25.9 t-20 -81.43 -45.44 16.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.806 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 16.3 m170 -59.96 -34.62 73.52 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 12.2 t -61.28 -23.04 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.647 0.737 . . . . 0.0 110.439 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 110' ' ' GLU . 25.7 mm -91.17 -64.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.926 -175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.447 ' HB ' ' HD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.08 -48.27 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.581 -178.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.597 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.4 m-85 -92.67 -14.69 27.73 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.196 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.64 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.0 t-20 53.43 58.15 5.49 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.831 -166.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 99.5 mttt -72.41 -132.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.485 175.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.654 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.4 t0 -135.16 143.05 46.27 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.295 0.569 . . . . 0.0 110.654 177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -83.8 -27.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.861 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -81.52 -19.26 42.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.108 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.654 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.3 t -80.5 81.4 6.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.087 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.9 p -171.69 -168.73 0.62 Allowed 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.814 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.543 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.34 -165.86 18.36 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.045 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.811 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mmt180 -71.64 -43.5 66.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.243 0.544 . . . . 0.0 112.026 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.98 -44.25 63.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.229 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-30 -70.83 -32.58 69.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 67.6 mmtt -61.68 -35.01 76.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.515 0.674 . . . . 0.0 109.868 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.9 tp10 -72.76 -37.34 67.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.306 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -57.18 -39.0 74.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 172.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 49.3 mtt -57.71 -34.34 69.36 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.779 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 58.7 mttt -69.39 -14.41 62.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.025 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.3 m-30 -76.47 -13.54 60.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.804 0.811 . . . . 0.0 109.72 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' HG13 ' A' ' 65' ' ' ILE . 6.7 t70 -69.24 -39.92 78.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 65' ' ' ILE . 12.1 t70 -73.94 -42.92 59.84 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.363 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.78 -35.19 66.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.807 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.56 64.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.915 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 62' ' ' ASP . 66.6 mt -55.69 -37.82 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.074 0.464 . . . . 0.0 110.682 173.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -69.78 -45.96 66.85 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.242 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.463 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -75.95 -72.04 0.34 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.907 -173.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CE2' ' HB1' ' A' ' 100' ' ' ALA . 22.8 m-85 -72.82 -32.97 65.89 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.427 -175.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 102.7 139.29 10.39 Favored Glycine 0 N--CA 1.432 -1.588 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.435 175.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 65' ' ' ILE . 9.1 tp -59.18 -44.53 92.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -0.751 . . . . 0.0 110.178 -175.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.22 -53.74 52.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.288 0.566 . . . . 0.0 111.266 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.816 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.63 -41.25 88.59 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.61 -176.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 104' ' ' ILE . 18.3 mt -58.11 -48.77 83.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.551 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.476 HD21 HG13 ' A' ' 70' ' ' ILE . 95.6 m-20 -57.02 -44.21 82.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.348 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.1 -38.8 69.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.793 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -66.26 -52.58 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.814 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.779 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.1 p -53.51 -50.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 122.032 0.92 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 77' ' ' VAL . 30.9 mt-10 -60.9 -38.46 85.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.281 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.33 86.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.621 0.248 . . . . 0.0 110.91 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.793 ' HE3' HG23 ' A' ' 76' ' ' ILE . 13.0 mmt -46.39 -30.59 2.19 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.893 171.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.796 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m . . . . . 0 N--CA 1.44 -0.94 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.014 -172.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 . . . . . 0 CA--C 1.531 0.232 0 CA-C-O 120.573 0.225 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.463 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 33.2 tt0 -57.55 -38.75 75.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 0.0 110.57 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -37.82 57.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.642 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.9 mm? -61.26 -48.82 79.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.223 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.449 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.6 m-30 -63.21 -39.59 95.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.362 0.601 . . . . 0.0 110.756 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 68' ' ' TYR . . . -57.37 -36.77 71.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.791 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -69.69 -29.12 66.46 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.42 -51.69 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.429 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.65 -39.04 95.18 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.765 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.714 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.53 -40.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.446 ' HA ' HD12 ' A' ' 108' ' ' ILE . 46.0 t -72.26 -28.1 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.269 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.17 75.98 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 110.818 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 78.6 tttt -72.06 -29.08 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.407 0.622 . . . . 0.0 110.069 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.779 ' HA ' HG23 ' A' ' 77' ' ' VAL . 52.8 mt -71.64 -51.37 33.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.52 HG21 HG23 ' A' ' 34' ' ' ILE . 10.0 t -60.27 -32.96 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.859 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.594 ' HB2' HG13 ' A' ' 41' ' ' ILE . 23.2 pt-20 -80.07 -39.55 29.48 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -56.11 -29.35 60.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 111.443 -174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.413 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.5 m0 -71.16 -18.46 62.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.682 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.66 93.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.393 -171.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.7 m-85 -52.98 -63.26 1.2 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.37 19.55 18.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.537 -0.465 . . . . 0.0 112.155 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 60.63 76.06 0.38 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 110.899 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.796 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.3 mt . . . . . 0 C--N 1.321 -0.668 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.687 -174.109 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.0 ppp? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.553 -0.536 . . . . 0.0 109.553 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.3 p -93.47 -177.66 4.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.693 -170.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.75 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.7 p-10 -81.46 -31.7 32.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -175.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 139' ' ' ILE . 38.1 t70 -74.67 -19.74 60.15 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 111.743 -2.481 . . . . 0.0 110.185 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 24.5 t-20 -75.29 -31.57 60.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.75 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.2 mp -58.71 -42.54 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.723 175.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.462 ' O ' HD13 ' A' ' 142' ' ' LEU . 37.7 m-80 -67.4 -45.43 76.22 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.793 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.8 mt -61.17 -39.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.761 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.56 -52.37 61.37 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.92 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.7 mm -50.92 -47.17 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.393 0.616 . . . . 0.0 109.471 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -66.45 -49.19 67.5 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.205 -175.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -47.81 78.54 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 122.056 0.931 . . . . 0.0 110.406 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.678 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 55.1 mt -67.03 -41.8 85.95 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.331 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 44.7 mt-10 -52.99 -25.98 13.85 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.932 0.77 . . . . 0.0 112.55 -177.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 31.6 mmmt -50.26 -38.2 39.74 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.639 172.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.43 -10.47 9.28 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.351 1.072 . . . . 0.0 109.595 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.746 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -97.36 177.49 5.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.369 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.251 1.167 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.065 -168.345 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 120.765 0.317 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.711 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.53 143.57 11.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.746 0.784 . . . . 0.0 112.611 177.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -103.5 -46.89 4.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.208 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.91 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.09 -6.56 56.74 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.354 -175.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.657 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -46.66 -45.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.154 173.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.561 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 6.6 t70 -117.18 16.55 14.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.945 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.91 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 25.0 t70 -55.79 -34.87 65.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.668 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.733 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 22.3 t70 74.56 -23.99 0.22 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.763 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.526 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.8 pttm -121.83 172.35 8.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 122.857 0.463 . . . . 0.0 111.239 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.1 tp -80.96 136.77 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.218 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.0 -166.89 1.34 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 121.542 0.686 . . . . 0.0 111.55 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 26' ' ' ILE . 41.2 t -74.14 162.73 28.67 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.964 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' HG21 ' A' ' 137' ' ' ILE . 95.3 mtt180 -54.28 -43.84 71.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.647 0.736 . . . . 0.0 109.384 167.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.16 -4.53 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.365 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.5 t -99.56 -25.0 14.57 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.197 -175.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.658 ' HB ' HG12 ' A' ' 137' ' ' ILE . 17.9 mm -80.14 -10.23 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.529 1.157 . . . . 0.0 107.995 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.8 mm -68.68 -54.89 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.816 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 8.2 m-20 -72.09 -34.49 68.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 53' ' ' LEU . 33.0 tp -50.74 -51.28 51.5 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.786 -174.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.6 mm -60.04 -34.93 58.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.462 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 16.0 t70 -68.13 -47.85 66.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.315 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.711 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -59.04 -51.62 69.28 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.5 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 84.8 t80 -62.65 -56.62 16.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.986 -174.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.552 HG23 HG21 ' A' ' 109' ' ' THR . 30.1 mm -55.03 -32.06 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.945 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 41.4 m -80.08 -34.76 37.81 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.889 175.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.5 t90 -66.87 -41.65 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.244 . . . . 0.0 111.657 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 10.9 mmm180 -56.53 -26.75 55.63 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.4 t-20 -78.01 -47.81 17.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.917 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.73 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 9.2 m170 -52.41 -39.53 61.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.663 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.4 t -57.29 -25.05 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.811 0.815 . . . . 0.0 110.559 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 114' ' ' TYR . 19.6 mm -94.0 -65.48 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.559 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.51 -46.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.176 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.554 ' HB2' ' O ' ' A' ' 39' ' ' HIS . 2.2 m-85 -90.19 -10.83 42.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.27 -175.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.2 t-20 50.9 52.1 15.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.677 -174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 54.2 mtpt -76.46 -137.19 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.789 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 2.1 t70 -135.16 145.72 48.05 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.077 0.465 . . . . 0.0 110.112 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -79.54 -28.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.135 174.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.7 p -82.81 -17.11 45.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.446 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 44.3 t -77.61 82.84 4.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.485 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.4 p -172.85 -166.24 0.35 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.561 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.561 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.36 -165.47 18.28 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.947 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.733 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.3 mtt180 -68.5 -48.0 65.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.433 0.635 . . . . 0.0 111.701 -172.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -51.58 -44.74 62.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.644 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.657 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 54.9 mmtt -62.91 -33.99 76.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.36 0.6 . . . . 0.0 109.437 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 144' ' ' LEU . 14.5 tp10 -72.13 -37.8 69.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -176.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -57.03 -39.03 74.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.487 172.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.1 mtt -58.46 -34.37 70.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.808 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -69.79 -14.32 62.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.687 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.623 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.08 -16.17 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.765 0.793 . . . . 0.0 109.496 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.61 ' O ' HG13 ' A' ' 65' ' ' ILE . 25.5 t70 -69.76 -42.08 74.33 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 171.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 65' ' ' ILE . 16.3 t70 -74.09 -41.64 61.36 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.316 -173.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -61.68 -35.39 67.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.888 -1.506 . . . . 0.0 109.738 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.74 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 62' ' ' ASP . 63.1 mt -57.99 -39.84 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.792 172.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 66' ' ' ARG . 40.2 ttp180 -70.87 -42.0 70.65 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.5 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -76.34 -71.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.089 -174.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.61 -48.68 46.42 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.846 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 120.68 138.11 5.48 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -57.97 -42.46 82.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 34.9 t70 -59.42 -49.81 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -59.55 -45.6 91.32 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.781 178.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 104' ' ' ILE . 45.9 mt -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.343 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.16 -47.74 77.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.053 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.1 mt-10 -57.63 -45.05 85.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.298 1.047 . . . . 0.0 109.164 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.614 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -72.78 -53.46 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.594 -173.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -55.17 -52.7 42.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 121.206 0.527 . . . . 0.0 110.57 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.466 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.2 mt-10 -53.92 -45.35 71.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.791 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.01 -37.28 81.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.579 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.726 ' HG3' HG12 ' A' ' 108' ' ' ILE . 23.1 mmt -48.7 -17.03 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.428 ' N ' ' HZ2' ' A' ' 112' ' ' TRP . 85.7 p . . . . . 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.689 . . . . 0.0 109.746 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 98' ' ' LEU . 57.8 tt0 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.4 tt0 -61.6 -36.79 81.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -39.88 71.06 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.48 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 95' ' ' GLN . 89.0 mt -54.23 -53.71 49.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.27 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HB3' HG11 ' A' ' 63' ' ' VAL . 13.1 m-30 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.967 0.413 . . . . 0.0 111.384 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.89 -31.46 66.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.429 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 98.1 m -66.91 -36.17 81.64 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.735 -178.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.2 -53.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.886 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.27 99.78 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.255 -173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.788 HD13 HG12 ' A' ' 73' ' ' ILE . 4.6 tp -55.1 -45.8 77.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.786 0.327 . . . . 0.0 110.501 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.61 ' HA ' HD12 ' A' ' 108' ' ' ILE . 59.1 m -72.72 -24.19 60.95 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.601 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.62 74.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.85 0.357 . . . . 0.0 110.398 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -73.71 -29.32 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.72 0.772 . . . . 0.0 110.619 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.726 HG12 ' HG3' ' A' ' 80' ' ' MET . 42.1 mt -69.19 -46.93 76.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.584 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.552 HG21 HG23 ' A' ' 34' ' ' ILE . 11.2 t -68.34 -30.81 69.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.98 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.567 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 18.1 pt-20 -78.83 -54.35 6.16 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -173.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -58.03 -25.89 61.75 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 111.813 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -66.32 -16.3 63.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.444 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.28 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.476 -0.392 . . . . 0.0 112.997 -174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -52.65 -54.62 30.76 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.3 ptpt -110.25 3.15 19.73 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.161 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm 63.96 81.47 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.684 HD12 ' CE3' ' A' ' 112' ' ' TRP . 11.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.804 -175.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.2 ppp? . . . . . 0 CA--C 1.521 -0.144 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 137' ' ' ILE . 12.3 p -131.27 158.65 40.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -166.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.733 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.1 t70 -48.98 -33.18 10.48 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.781 0.675 . . . . 0.0 111.373 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.81 -32.29 72.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.681 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.522 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.1 t-20 -78.16 -29.94 48.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -175.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -59.12 -37.99 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.975 178.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.456 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.7 m-80 -61.77 -45.73 92.62 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.873 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.1 mp -61.85 -42.02 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.886 0.85 . . . . 0.0 108.997 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.64 -53.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.063 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.675 ' HA ' HD11 ' A' ' 20' ' ' ILE . 23.5 mm -50.3 -46.13 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.488 0.661 . . . . 0.0 109.605 175.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -67.1 -49.86 63.51 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.901 -175.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 68.8 t80 -57.24 -45.33 84.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 122.159 0.98 . . . . 0.0 110.783 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.725 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 71.6 mt -66.47 -42.97 86.7 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.826 -1.534 . . . . 0.0 110.363 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 19.7 mt-10 -53.26 -24.6 11.84 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 112.518 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.569 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 54.5 mmtt -47.48 -43.75 24.68 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.136 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.569 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -115.48 -12.03 11.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.004 0.907 . . . . 0.0 110.008 179.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.725 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -98.08 177.56 5.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.004 -178.445 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.679 -171.338 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.44 -0.926 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.2 144.35 9.56 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.951 0.882 . . . . 0.0 113.155 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -100.9 -53.4 3.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.147 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.993 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -4.47 35.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.195 -174.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.724 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -49.16 -48.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.993 171.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.668 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 5.7 t70 -116.38 19.16 14.91 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.472 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.993 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.4 t0 -52.23 -36.37 52.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.358 -170.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.681 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 14.6 t70 73.01 -29.19 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.096 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.536 ' C ' HD13 ' A' ' 148' ' ' LEU . 26.4 pttm -116.73 170.48 8.56 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.78 -174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -83.43 144.25 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.483 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -168.43 1.5 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.96 0.886 . . . . 0.0 112.544 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -65.68 156.44 32.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.774 -1.557 . . . . 0.0 111.342 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.6 mtm180 -55.75 -36.86 67.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.344 1.068 . . . . 0.0 109.375 168.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -75.64 -2.56 29.97 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.884 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.5 t -105.06 -21.33 13.29 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.115 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.9 mm -79.47 -5.71 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 122.792 1.282 . . . . 0.0 107.957 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.38 -56.41 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.009 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 4.1 m-20 -72.58 -30.84 64.74 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.523 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 53' ' ' LEU . 31.2 tp -50.14 -48.97 53.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 112.6 -2.091 . . . . 0.0 112.833 -175.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.9 mm -61.25 -34.7 61.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.063 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.38 -43.88 69.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.651 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.9 mm-40 -59.36 -51.98 67.58 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.596 177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.46 -56.07 21.63 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.109 0.481 . . . . 0.0 111.584 -174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.426 ' O ' HG21 ' A' ' 109' ' ' THR . 46.6 mm -56.06 -36.23 44.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.991 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 88.5 m -73.74 -34.97 64.98 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.916 175.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.4 t90 -67.57 -38.9 84.76 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.264 -0.272 . . . . 0.0 111.476 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 110' ' ' GLU . 43.7 mmm-85 -58.92 -21.45 57.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.282 0.563 . . . . 0.0 109.954 175.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.2 t-20 -84.58 -44.87 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.169 177.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.709 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.71 -32.3 29.59 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.704 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.3 t -67.44 -24.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.032 0.92 . . . . 0.0 109.794 -176.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.541 HG21 ' O ' ' A' ' 110' ' ' GLU . 27.2 mm -93.42 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.506 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -52.4 -52.33 26.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.137 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.1 m-85 -88.89 -7.7 55.6 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.761 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 54.56 51.14 14.55 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.308 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 48.2 mtpt -77.16 -142.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.524 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 4.3 t0 -134.53 145.31 48.62 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.633 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.4 tp -77.02 -28.73 16.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.988 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -83.33 -16.45 46.09 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.287 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.598 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 37.0 t -77.04 82.86 3.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.233 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -173.56 -162.16 0.15 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.918 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.62 -166.62 19.19 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.826 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.681 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.8 mtt180 -75.88 -43.45 45.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.49 0.662 . . . . 0.0 111.624 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 144' ' ' LEU . 6.2 tt -51.49 -42.54 61.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.758 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.2 m-30 -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 60.5 mmtt -60.74 -32.2 71.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.461 0.648 . . . . 0.0 109.771 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -71.62 -42.56 67.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.248 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -55.38 -37.86 68.1 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.958 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 51.1 mtt -57.21 -33.95 68.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.175 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mttt -66.4 -18.85 65.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.031 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.631 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.3 m-30 -78.65 -12.96 60.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.985 0.898 . . . . 0.0 109.77 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.554 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.2 t70 -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 171.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.701 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.6 t70 -78.36 -40.81 35.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.319 -2.219 . . . . 0.0 110.673 -171.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.7 -34.92 64.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.22 63.99 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.088 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 62' ' ' ASP . 50.0 mt -58.19 -36.72 58.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.381 172.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -69.7 -45.35 68.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.428 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -75.81 -71.94 0.35 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.467 -175.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -70.45 -41.69 72.48 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.479 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.569 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.15 142.57 10.21 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.876 175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.62 -44.02 84.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.017 -0.592 . . . . 0.0 109.653 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 11.1 t70 -57.18 -52.58 64.74 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.587 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.31 -43.96 96.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.767 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 104' ' ' ILE . 30.3 mt -58.95 -45.83 91.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.601 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.18 -47.19 78.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.944 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 73.0 mt-10 -66.38 -40.92 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.782 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -67.52 -52.68 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.139 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.17 -50.5 45.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.928 0.87 . . . . 0.0 111.138 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' N ' HG13 ' A' ' 77' ' ' VAL . 63.4 mt-10 -55.35 -46.36 76.43 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.367 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.91 66.79 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.953 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.782 ' HE3' HG23 ' A' ' 76' ' ' ILE . 14.4 mmt -44.07 -33.66 1.53 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.793 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.493 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.444 -0.75 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 -171.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.4 tt0 . . . . . 0 C--O 1.233 0.222 0 N-CA-C 111.72 0.267 . . . . 0.0 111.72 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 30.3 tt0 -58.55 -34.05 70.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 176.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.5 t -79.79 -32.81 40.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.521 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 95' ' ' GLN . 74.5 mt -57.88 -47.84 81.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.915 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.548 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.2 m-30 -71.25 -39.63 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.946 0.403 . . . . 0.0 111.73 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.472 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.43 -33.37 67.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.561 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -67.39 -28.35 67.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.752 0.31 . . . . 0.0 111.163 -178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.94 -53.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.318 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.8 96.1 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.754 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.79 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.31 -40.72 82.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.62 -26.19 61.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -71.57 -41.5 68.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.965 0.412 . . . . 0.0 110.509 -176.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -63.57 -32.04 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 110.458 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.777 ' HA ' HG23 ' A' ' 77' ' ' VAL . 41.5 mt -71.48 -49.47 46.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.853 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 34' ' ' ILE . 9.2 t -62.6 -28.62 70.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.42 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mt-10 -65.93 -51.8 55.38 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -54.51 -31.68 56.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.618 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.632 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 54.8 m0 -72.31 -20.14 61.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.42 -47.14 87.41 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.04 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.497 ' CE1' HG23 ' A' ' 41' ' ' ILE . 14.5 m-85 -53.46 -57.04 12.09 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.1 0.45 . . . . 0.0 112.142 -169.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.1 ptpt -110.66 6.81 21.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 112' ' ' TRP . 9.2 mtpm? 61.34 82.94 0.16 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.829 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 81' ' ' SER . 7.6 mt . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.602 -176.282 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.579 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.511 ' O ' HD12 ' A' ' 137' ' ' ILE . 8.6 p -90.25 -176.05 4.71 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -169.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -82.33 -32.59 29.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.107 -2.182 . . . . 0.0 105.107 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.09 -21.12 60.82 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 111.615 -2.539 . . . . 0.0 110.2 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.579 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 22.0 t-20 -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -172.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 26' ' ' ILE . 1.4 mp -57.65 -45.26 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.512 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 142' ' ' LEU . 33.3 m-80 -65.88 -42.4 90.36 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.053 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.07 -40.45 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.79 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -66.3 -50.12 64.75 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.47 -175.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.9 mm -50.65 -46.0 27.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -65.43 -48.36 73.03 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.963 -177.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 76.3 t80 -56.78 -46.58 81.4 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 122.171 0.986 . . . . 0.0 110.146 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.79 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.4 mt -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.701 -1.59 . . . . 0.0 110.313 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 22.2 mt-10 -53.23 -24.84 12.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 124.012 0.82 . . . . 0.0 112.496 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.56 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 22.2 mmtt -48.75 -37.45 18.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.764 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.56 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.9 -11.7 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.074 0.94 . . . . 0.0 110.095 176.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.711 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -100.41 178.5 4.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.736 -179.185 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.482 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 18.1 t-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.497 0.719 . . . . 0.0 110.107 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.538 0.49 0 CA-C-O 120.512 0.196 . . . . 0.0 111.313 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.642 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -54.02 142.58 24.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 174.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -106.49 -46.98 3.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.034 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.834 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -72.12 -7.78 50.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.276 -177.247 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.655 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -45.28 -47.16 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.15 171.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.605 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 16.8 t70 -116.03 19.27 15.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.378 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.834 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.1 t70 -54.36 -34.76 61.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 -172.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.723 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.3 t70 73.67 -25.4 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.459 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.487 ' C ' HD13 ' A' ' 148' ' ' LEU . 14.5 ptmm? -120.7 173.27 7.3 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 123.404 0.682 . . . . 0.0 111.07 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.659 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.9 tp -79.08 138.09 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.541 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.1 -168.34 1.55 Allowed 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 121.767 0.794 . . . . 0.0 111.392 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.591 ' HB3' ' HB2' ' A' ' 25' ' ' SER . 34.7 t -71.77 156.73 39.0 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.494 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 137' ' ' ILE . 96.9 mtt180 -58.05 -37.2 73.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.402 1.096 . . . . 0.0 109.064 169.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.04 -3.21 34.56 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.408 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 5.5 t -104.83 -21.5 13.33 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.846 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 23.4 mm -80.46 -5.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.664 1.221 . . . . 0.0 107.883 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 -56.3 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 112.884 -1.962 . . . . 0.0 109.83 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 98.9 m-20 -72.96 -31.88 64.85 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-O 122.319 1.057 . . . . 0.0 108.401 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 53' ' ' LEU . 28.6 tp -50.22 -49.52 52.56 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.846 -174.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.52 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.8 mm -60.15 -34.5 57.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.8 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -70.95 -44.56 65.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.2 mm-40 -59.04 -51.94 67.89 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.777 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 83.5 t80 -60.6 -55.76 29.44 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.194 0.521 . . . . 0.0 111.186 -176.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.7 -30.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.903 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 96.2 m -76.94 -40.18 47.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.8 t90 -67.12 -39.07 86.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.283 -178.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -58.04 -23.72 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.182 0.515 . . . . 0.0 109.905 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 35' ' ' THR . 26.2 t-20 -85.24 -42.78 14.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.144 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.635 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 3.3 m-70 -54.45 -31.83 56.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 14.1 t -69.0 -18.54 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 122.055 0.931 . . . . 0.0 109.567 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.4 mm -96.63 -63.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.41 -1.268 . . . . 0.0 112.259 -176.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -52.21 -51.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.232 -178.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -90.42 -7.46 53.09 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.61 -177.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.8 t-20 48.13 54.16 10.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.576 -174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.635 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 58.2 mtpt -75.85 -142.03 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.025 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 6.7 m-20 -130.07 133.83 46.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 -177.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.7 tp -73.27 -29.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.043 0.925 . . . . 0.0 110.401 176.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -76.99 -17.08 59.11 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.861 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.709 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 40.2 t -84.43 82.89 8.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.13 -1.85 . . . . 0.0 110.357 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.9 p -174.74 -169.45 0.42 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.605 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.35 -165.75 22.85 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.863 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.723 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 55.8 mtt180 -73.43 -44.15 58.85 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.473 0.654 . . . . 0.0 111.429 -172.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -51.36 -44.42 62.07 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.599 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.655 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.5 m-85 -69.77 -33.22 72.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 66.8 mmtt -59.93 -34.51 73.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.184 0.516 . . . . 0.0 109.839 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -72.14 -38.88 69.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.665 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -58.38 -37.82 76.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.394 174.14 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.634 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 48.5 mtt -58.84 -34.93 72.13 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.716 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -67.32 -15.61 63.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.739 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.632 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.03 -15.84 58.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.913 0.863 . . . . 0.0 109.536 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.535 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.6 t70 -69.29 -40.1 77.91 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 172.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 65' ' ' ILE . 24.4 t70 -76.03 -40.55 53.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 112.426 -2.17 . . . . 0.0 110.335 -173.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -63.82 -34.32 67.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.773 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.69 60.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.139 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.667 HG23 ' HB ' ' A' ' 70' ' ' ILE . 55.0 mt -56.47 -37.78 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.795 0.807 . . . . 0.0 110.162 171.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -69.38 -44.03 72.34 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.47 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.413 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -80.76 -69.35 0.61 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.565 -175.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.17 -41.65 66.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.391 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.592 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.85 138.52 8.37 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.319 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.3 tp -57.15 -43.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 114.478 -0.861 . . . . 0.0 110.019 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.86 -52.07 63.95 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.494 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.784 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.88 -42.27 94.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 39.1 mt -59.09 -46.63 91.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.6 -48.18 69.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.98 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.68 -35.22 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.917 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.728 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -71.53 -52.73 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.726 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.98 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.51 -53.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.508 0.671 . . . . 0.0 111.823 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 77' ' ' VAL . 27.3 mt-10 -58.38 -37.8 76.0 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.465 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.08 -51.3 70.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.728 ' HE3' HG23 ' A' ' 76' ' ' ILE . 9.5 mmt -47.72 -34.72 8.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.253 175.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.589 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m . . . . . 0 N--CA 1.44 -0.926 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.915 -173.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.546 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.9 tt0 . . . . . 0 C--O 1.233 0.197 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.2 tt0 -58.62 -35.38 72.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.293 0.568 . . . . 0.0 110.027 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 t -80.19 -34.01 37.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.59 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 95' ' ' GLN . 71.3 mt -54.9 -54.01 48.07 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.112 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.468 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 12.8 m-30 -65.54 -38.71 90.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.73 -33.18 68.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 45.1 m -66.02 -34.05 77.2 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.895 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.85 -53.83 18.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.455 179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.87 -40.32 99.11 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.97 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -57.95 -40.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.4 t -72.33 -28.78 63.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.45 -37.54 71.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.269 0.556 . . . . 0.0 109.939 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -68.68 -28.75 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.145 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.98 ' HA ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt -76.9 -52.48 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.5 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.2 t -58.12 -31.44 67.17 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.319 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 41' ' ' ILE . 6.0 pt-20 -72.51 -39.22 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.4 -34.54 58.12 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 111.279 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.509 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 42.6 m0 -71.29 -17.8 62.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.022 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.448 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -64.65 -47.1 87.25 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.207 -0.521 . . . . 0.0 113.921 -170.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.483 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.3 m-85 -50.45 -61.19 2.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -170.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HG3' HG12 ' A' ' 117' ' ' ILE . 18.9 ptpt -110.88 9.54 22.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.54 -175.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 63.27 78.36 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.507 0.67 . . . . 0.0 110.088 -175.403 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 81' ' ' SER . 9.5 mt . . . . . 0 N--CA 1.449 -0.518 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.47 -174.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.52 ' HG2' HG13 ' A' ' 30' ' ' ILE . 3.9 ppp? . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 137' ' ' ILE . 38.1 p -132.99 154.1 50.83 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.764 -169.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.79 ' HA ' HD13 ' A' ' 137' ' ' ILE . 9.9 t70 -48.27 -32.3 7.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.683 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.32 -32.51 71.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.392 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.462 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 11.2 t-20 -78.21 -29.67 48.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -57.24 -39.01 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.545 178.216 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.532 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.8 m-80 -65.9 -43.61 87.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.924 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.03 -41.69 92.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.648 0.737 . . . . 0.0 109.04 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.02 -51.56 63.61 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.817 -176.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.615 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.5 mm -51.05 -45.82 30.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-O 121.292 0.568 . . . . 0.0 109.476 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -65.75 -49.05 69.8 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.13 -176.428 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 76.8 t80 -55.93 -46.5 78.47 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.152 0.977 . . . . 0.0 110.273 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.729 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 39.1 mt -68.13 -45.86 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.057 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.4 mt-10 -53.18 -24.27 10.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 124.138 0.899 . . . . 0.0 112.773 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 71.8 mmtt -47.9 -38.87 17.38 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.665 171.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -119.76 -15.75 8.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.151 0.977 . . . . 0.0 110.21 176.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.729 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -94.19 175.5 6.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.734 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 25.8 t-20 . . . . . 0 C--O 1.249 1.058 0 O-C-N 125.148 1.53 . . . . 0.0 108.763 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.43 -1.436 0 CA-C-O 120.895 0.379 . . . . 0.0 111.986 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.781 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.51 140.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -106.46 -44.08 4.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.862 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.29 -4.67 51.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.292 -177.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 p -41.25 -48.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.031 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 27.0 t70 -116.03 20.2 14.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.157 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 17.9 t70 -51.14 -38.54 52.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.18 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.831 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 26.7 t70 73.38 -18.98 0.35 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.201 172.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.7 pttp -121.17 172.22 8.14 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.694 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 9.7 tp -78.39 135.39 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.5 m -104.12 -169.71 1.67 Allowed 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 121.647 0.737 . . . . 0.0 111.822 -175.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -74.03 163.9 27.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.323 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 27' ' ' ILE . 18.2 mtp180 -51.68 -44.44 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.736 0.779 . . . . 0.0 109.141 167.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.02 -8.02 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.047 -171.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.5 -29.84 15.33 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.197 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.6 mm -74.22 -17.41 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-O 122.437 1.113 . . . . 0.0 108.506 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' ARG . 47.9 mm -64.93 -55.89 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.065 -1.879 . . . . 0.0 109.604 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.67 64.88 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.718 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 53' ' ' LEU . 22.3 tp -51.1 -51.59 51.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.264 -2.243 . . . . 0.0 113.45 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.666 HG13 ' SD ' ' A' ' 132' ' ' MET . 3.9 mm -61.14 -32.63 53.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -174.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.53 -41.97 68.51 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.781 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.2 mm-40 -58.44 -50.49 73.52 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 176.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.78 -48.78 65.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.703 0.764 . . . . 0.0 110.76 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.2 mm -58.82 -34.04 51.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.505 178.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -77.7 -31.28 52.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.39 0.614 . . . . 0.0 110.523 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.3 t90 -68.2 -41.49 81.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.776 HH22 ' HB2' ' A' ' 61' ' ' ASP . 12.7 mmt85 -50.78 -31.87 18.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.339 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 27.0 t-20 -81.81 -44.02 17.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.466 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.524 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 38.1 m170 -61.8 -33.53 74.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.787 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 t -59.36 -28.77 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.898 0.856 . . . . 0.0 110.134 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 114' ' ' TYR . 27.0 mm -85.84 -63.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.219 -174.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -47.47 -51.67 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.939 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 4.9 m-85 -93.93 -8.0 41.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.22 -173.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.9 t-20 56.21 55.39 6.78 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.724 -171.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 63.3 mttp -73.61 -139.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.505 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.494 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -135.83 146.07 47.12 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 177.004 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.2 tp -82.86 -27.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.257 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 p -83.78 -13.14 54.59 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.135 0.969 . . . . 0.0 108.556 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.1 t -82.43 82.52 7.84 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.571 -1.649 . . . . 0.0 110.706 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.6 p -171.86 -171.42 0.88 Allowed 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.586 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -106.55 -166.04 22.67 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.845 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.831 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 8.7 mmt180 -70.99 -41.95 70.27 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.103 0.561 . . . . 0.0 111.674 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 29' ' ' LEU . 3.2 tt -51.94 -48.1 64.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.239 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 3.0 m-30 -68.18 -39.07 82.61 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 68.6 mmtt -50.91 -37.41 43.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.691 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.6 tp10 -72.25 -39.91 68.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -55.77 -37.0 67.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.826 172.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.527 ' HA ' HH21 ' A' ' 37' ' ' ARG . 48.9 mtt -58.55 -34.46 71.05 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.883 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 55.8 mttt -70.09 -15.21 62.95 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.5 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.624 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -78.07 -14.37 59.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.945 0.879 . . . . 0.0 109.759 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.776 ' HB2' HH22 ' A' ' 37' ' ' ARG . 8.0 t70 -68.26 -40.65 81.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 171.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 65' ' ' ILE . 9.5 t70 -74.89 -43.05 56.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.27 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.2 p -60.9 -35.41 64.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.143 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.2 -43.78 60.78 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.218 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.3 mt -56.51 -34.87 42.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.487 0.661 . . . . 0.0 110.481 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -71.65 -42.43 67.57 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 -73.05 0.37 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.62 -173.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.92 -39.22 76.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.623 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 107.31 144.83 11.72 Favored Glycine 0 N--CA 1.425 -2.049 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.935 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.435 HG13 HD21 ' A' ' 74' ' ' ASN . 10.5 tp -58.34 -44.76 89.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.888 -177.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.6 t70 -56.69 -53.51 56.87 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.143 0.497 . . . . 0.0 111.46 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.93 -41.74 95.26 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.74 -177.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 20.3 mt -59.55 -47.76 89.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.44 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.435 HD21 HG13 ' A' ' 70' ' ' ILE . 94.9 m-20 -55.64 -46.13 77.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.958 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 14.2 mt-10 -71.15 -39.42 71.96 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.811 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.786 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -67.72 -51.9 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.387 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.1 -51.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.639 0.733 . . . . 0.0 111.03 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.9 mt-10 -56.43 -40.15 74.26 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.159 -1.382 . . . . 0.0 112.341 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.36 73.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.376 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.786 ' HE3' HG23 ' A' ' 76' ' ' ILE . 10.3 mmt -45.63 -34.5 3.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.171 0.51 . . . . 0.0 111.206 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.684 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.437 -1.095 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.729 -173.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.548 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.7 tt0 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.917 0.389 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.36 -34.46 76.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -34.81 64.05 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 95' ' ' GLN . 91.9 mt -62.66 -44.09 97.14 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.847 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.431 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.7 m-30 -70.66 -38.7 73.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 111.577 174.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.5 -34.51 69.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.335 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -26.0 65.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -177.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.15 -54.71 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.293 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -65.56 -38.64 94.93 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.814 -175.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -58.73 -43.34 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.649 ' HA ' HD12 ' A' ' 108' ' ' ILE . 34.6 t -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -71.35 -37.95 71.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -64.26 -36.89 85.56 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.429 0.633 . . . . 0.0 110.506 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.876 ' HA ' HG23 ' A' ' 77' ' ' VAL . 40.2 mt -66.37 -50.13 70.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.79 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.3 t -63.8 -35.45 80.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.022 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 38' ' ' ASN . 14.6 pt-20 -74.95 -34.92 62.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.448 -177.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -54.45 -45.41 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 110.704 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.57 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.2 m0 -59.97 -18.86 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -55.65 -58.29 14.69 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 114.27 0.468 . . . . 0.0 114.27 -172.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' A' ' 41' ' ' ILE . 34.5 m-85 -55.2 -48.22 74.17 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -164.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HG3' HG12 ' A' ' 117' ' ' ILE . 9.0 ptmm? -112.32 7.67 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.871 -0.732 . . . . 0.0 112.389 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 59.58 81.96 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 -173.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.684 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.9 mt . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.316 -171.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.666 ' SD ' HG13 ' A' ' 30' ' ' ILE . 24.5 ptm . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 137' ' ' ILE . 11.3 p -114.25 -177.18 3.07 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.751 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.5 p-10 -83.54 -30.1 27.35 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.542 ' HA ' HD22 ' A' ' 138' ' ' ASN . 34.7 t70 -75.02 -19.4 60.07 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.565 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 19.3 t-20 -75.18 -29.73 60.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.751 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mp -59.33 -41.3 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.869 175.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.542 HD22 ' HA ' ' A' ' 135' ' ' ASP . 35.6 m-80 -69.39 -44.42 71.49 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.991 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.6 mt -61.04 -39.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.618 0.723 . . . . 0.0 109.541 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.96 -51.76 65.65 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.712 -178.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.559 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.8 mm -51.39 -45.97 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -65.98 -49.46 67.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.19 -175.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.11 -46.05 86.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.042 0.925 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 56' ' ' GLU . 63.2 mt -67.36 -40.74 85.82 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 25.8 mt-10 -51.39 -30.49 19.22 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.914 0.758 . . . . 0.0 112.075 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.502 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 30.6 mtpt -56.21 -35.94 67.87 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.357 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -117.06 -13.41 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.895 0.855 . . . . 0.0 109.894 -178.374 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.694 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -94.22 174.99 6.87 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 113.647 -1.615 . . . . 0.0 110.53 179.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.249 1.073 0 O-C-N 123.758 0.661 . . . . 0.0 110.185 -172.072 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.381 0 CA-C-O 120.612 0.244 . . . . 0.0 111.535 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.72 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.83 147.21 9.31 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.685 0.755 . . . . 0.0 112.49 176.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -113.25 -42.9 3.43 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.275 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.704 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -84.88 -5.78 59.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.982 -178.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.676 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -40.79 -49.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.326 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 25.2 t70 -115.74 19.94 14.91 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.645 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.6 t0 -53.19 -33.39 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.749 -172.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.65 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.1 t70 72.6 -25.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.047 0.842 . . . . 0.0 111.648 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.523 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.4 pttm -121.56 171.89 8.49 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.226 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.665 HD11 ' HA ' ' A' ' 141' ' ' ILE . 7.0 tp -80.74 139.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.03 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.04 -170.13 1.84 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 121.594 0.711 . . . . 0.0 111.646 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' HG12 ' A' ' 26' ' ' ILE . 34.1 t -73.22 163.11 28.58 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.468 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.3 mtm180 -56.45 -40.84 75.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.074 0.94 . . . . 0.0 109.29 168.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.02 -5.57 39.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.843 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.2 t -100.61 -25.95 13.99 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.588 -173.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.595 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 21.9 mm -79.96 -9.75 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 137' ' ' ILE . 38.8 mm -67.7 -56.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.115 -1.857 . . . . 0.0 109.483 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.72 -32.18 63.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.678 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 53' ' ' LEU . 21.1 tp -50.99 -50.1 58.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.053 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.553 HG13 ' HG2' ' A' ' 132' ' ' MET . 3.6 mm -58.9 -35.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.992 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -70.35 -42.47 71.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.571 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.72 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.5 mt-10 -58.65 -50.99 71.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.391 0.139 . . . . 0.0 111.103 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -64.45 -55.95 17.45 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.007 0.432 . . . . 0.0 111.793 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.412 HG23 HG21 ' A' ' 109' ' ' THR . 46.7 mm -57.41 -29.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.07 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.7 m -76.58 -36.94 57.27 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.385 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.5 t90 -67.24 -38.96 86.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.674 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.54 -30.22 29.48 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.09 -47.36 12.67 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 1.2 m-70 -52.08 -41.89 62.76 Favored 'General case' 0 CA--C 1.527 0.06 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.9 t -57.59 -26.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 122.078 0.942 . . . . 0.0 110.255 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.502 HG23 ' CE1' ' A' ' 114' ' ' TYR . 22.4 mm -90.49 -62.91 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 CA-C-N 114.526 -1.216 . . . . 0.0 112.354 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.76 -51.1 29.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.139 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.7 m-85 -87.4 -11.23 49.85 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.343 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.6 t-20 54.9 46.18 24.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.51 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 22.9 mtpp -72.46 -141.5 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.934 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 18.8 m-20 -133.03 138.21 46.71 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.332 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.2 tp -80.3 -27.76 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.437 1.113 . . . . 0.0 110.038 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.2 p -78.59 -16.44 57.4 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.574 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.54 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.7 t -89.44 82.89 6.38 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.222 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 p -169.65 -169.23 0.88 Allowed 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.813 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.564 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.34 -167.63 22.9 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.65 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 50.5 mtt180 -67.69 -47.04 70.54 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.454 0.645 . . . . 0.0 111.303 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 29' ' ' LEU . 5.3 tt -51.25 -44.69 61.81 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.871 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-30 -69.9 -31.91 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 60.0 mmtt -62.08 -32.58 73.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.43 0.633 . . . . 0.0 109.761 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 79.4 mm-40 -71.23 -41.43 70.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.896 -177.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -55.41 -37.09 67.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.739 173.106 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.9 mtt -59.32 -31.89 69.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.137 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 53.6 mttt -74.74 -12.89 60.52 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.944 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -80.98 -14.54 57.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.026 0.917 . . . . 0.0 109.371 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.674 ' HB2' HH22 ' A' ' 37' ' ' ARG . 7.9 t70 -66.63 -41.05 88.93 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 65' ' ' ILE . 10.2 t70 -75.27 -42.8 54.21 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.502 -2.136 . . . . 0.0 110.308 -173.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.4 p -60.71 -34.94 60.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.094 -1.412 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.96 61.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.244 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 62' ' ' ASP . 56.7 mt -58.46 -35.6 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.759 0.79 . . . . 0.0 110.459 171.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -70.92 -39.37 72.75 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -74.19 0.38 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.32 -175.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -71.64 -40.38 69.76 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.183 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.605 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 106.47 139.9 9.64 Favored Glycine 0 N--CA 1.43 -1.741 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.059 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.0 tp -57.04 -44.14 82.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.951 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -51.46 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.777 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.576 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -65.96 -40.41 91.27 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.112 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.794 HG12 HD13 ' A' ' 104' ' ' ILE . 43.8 mt -57.32 -47.37 84.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.057 0.456 . . . . 0.0 110.357 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -53.47 -46.85 70.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.939 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.57 -37.32 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.835 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.94 -53.9 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.629 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.816 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -53.94 -51.07 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.75 0.786 . . . . 0.0 111.613 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 41.6 mt-10 -59.12 -39.64 82.95 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.408 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -58.77 -47.44 84.68 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.044 0.45 . . . . 0.0 110.486 175.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.835 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.1 mmt -48.9 -36.53 17.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.188 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.562 ' HB2' HG21 ' A' ' 117' ' ' ILE . 83.2 p . . . . . 0 N--CA 1.448 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 110.449 -170.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.5 tt0 . . . . . 0 C--O 1.232 0.179 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.52 -40.96 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.719 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -70.3 -36.21 74.19 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.467 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.0 mt -57.35 -54.21 49.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.205 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 11.4 m-30 -65.61 -38.96 90.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.917 0.389 . . . . 0.0 111.305 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.66 -32.82 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.481 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 48.6 m -67.13 -32.25 73.24 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.78 -53.72 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.381 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.51 95.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.83 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.794 HD13 HG12 ' A' ' 73' ' ' ILE . 5.9 tp -59.61 -39.19 78.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.066 0.46 . . . . 0.0 109.839 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.556 ' HA ' HD12 ' A' ' 108' ' ' ILE . 42.2 t -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.43 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.7 -35.57 75.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 111.039 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' A' ' 61' ' ' ASP . 24.1 mttm -73.99 -27.91 61.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.569 . . . . 0.0 111.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.816 ' HA ' HG23 ' A' ' 77' ' ' VAL . 51.8 mt -68.64 -47.54 76.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.897 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.412 HG21 HG23 ' A' ' 34' ' ' ILE . 7.3 t -66.0 -36.32 82.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.355 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 41' ' ' ILE . 10.1 pt-20 -70.79 -44.82 65.82 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -50.83 -36.09 35.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.93 0.492 . . . . 0.0 111.99 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 49.2 m0 -71.96 -19.37 61.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.7 98.34 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.171 -0.537 . . . . 0.0 114.115 -168.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.502 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.7 m-85 -51.51 -61.35 2.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.085 0.442 . . . . 0.0 112.129 -170.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -111.6 15.74 20.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.618 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.3 71.8 0.54 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.421 0.629 . . . . 0.0 110.849 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.562 HG21 ' HB2' ' A' ' 81' ' ' SER . 17.5 mt . . . . . 0 C--N 1.321 -0.667 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.266 -175.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.654 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? . . . . . 0 CA--C 1.521 -0.171 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.0 p -126.28 155.49 41.84 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -168.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.95 ' HA ' HD13 ' A' ' 137' ' ' ILE . 6.9 t70 -48.62 -31.08 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.781 0.676 . . . . 0.0 111.069 169.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.0 -29.56 64.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.654 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 10.5 t-20 -78.25 -27.59 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.95 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.8 -37.23 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.711 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.518 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.8 m-80 -63.65 -44.55 93.5 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.453 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.44 -43.37 96.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.371 -0.832 . . . . 0.0 108.8 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.7 -52.16 64.37 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.185 -1.371 . . . . 0.0 110.843 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.665 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.3 mm -51.68 -43.68 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 109.899 176.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.15 -48.72 67.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.648 -175.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 73.0 t80 -56.51 -47.72 78.71 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.199 1.0 . . . . 0.0 110.312 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 39.9 mt -67.1 -42.42 84.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.335 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 148' ' ' LEU . 14.7 mt-10 -55.23 -24.4 27.37 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 124.092 0.87 . . . . 0.0 112.525 -176.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 6.4 mmmm -47.74 -39.05 16.72 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.271 170.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -118.47 -11.46 9.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.795 0.807 . . . . 0.0 110.319 176.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -102.1 174.64 5.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.13 -1.395 . . . . 0.0 112.411 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 18.2 t-20 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 113.739 -1.573 . . . . 0.0 108.727 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.807 0 CA-C-O 120.74 0.305 . . . . 0.0 111.534 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.71 141.61 16.43 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.736 0.779 . . . . 0.0 112.706 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -104.13 -42.31 5.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.524 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.939 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.02 -10.54 59.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.36 -177.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.7 p -47.25 -48.43 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.032 175.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 26.8 t70 -115.55 20.57 14.63 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.391 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.939 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 37.2 t0 -49.62 -40.76 40.31 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.069 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.664 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 8.3 t70 74.45 -19.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.956 -1.475 . . . . 0.0 111.522 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.496 ' C ' HD13 ' A' ' 148' ' ' LEU . 60.5 pttt -125.93 170.81 11.31 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.84 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.752 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 4.9 tp -86.51 138.63 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.145 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -162.51 0.81 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.234 0.54 . . . . 0.0 111.544 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.12 162.8 18.89 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.481 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.3 mtt180 -59.26 -38.81 81.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.168 0.985 . . . . 0.0 108.919 169.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HA ' HG13 ' A' ' 27' ' ' ILE . 22.4 t70 -72.26 -4.68 31.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.943 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.73 -28.27 16.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -176.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' A' ' 137' ' ' ILE . 22.1 mm -78.37 -8.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.626 1.203 . . . . 0.0 108.041 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.441 HG13 ' HA ' ' A' ' 24' ' ' ASP . 45.2 mm -72.2 -56.01 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.954 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 m-20 -72.59 -31.62 65.35 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 122.513 1.149 . . . . 0.0 108.441 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 53' ' ' LEU . 33.7 tp -51.03 -50.16 59.13 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 112.544 -2.116 . . . . 0.0 112.952 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.86 -35.04 49.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.5 -47.42 60.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 4.2 mm-40 -58.51 -51.42 69.96 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.545 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 77.0 t80 -60.75 -56.7 18.06 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.628 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.36 -33.7 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 79.1 m -75.69 -35.94 60.17 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 111.019 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 73.6 t90 -67.26 -39.8 86.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.994 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 37' ' ' ARG . 16.9 mmm180 -58.97 -20.85 56.41 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.995 0.426 . . . . 0.0 110.247 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.5 t-20 -85.23 -46.09 11.37 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.264 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.714 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 11.6 m170 -52.57 -39.82 61.94 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 16.7 t -59.09 -24.05 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.732 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 110' ' ' GLU . 20.5 mm -93.36 -65.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.77 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -48.15 50.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.117 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.492 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.5 m-85 -89.6 -10.05 47.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.454 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.1 t-20 53.0 50.88 16.95 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.317 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.714 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 57.3 mtpt -75.34 -136.97 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.783 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -135.44 149.63 49.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.429 0.633 . . . . 0.0 110.723 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.8 tp -79.75 -29.8 13.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.403 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 p -79.93 -15.32 57.54 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.828 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -74.74 82.19 2.09 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.13 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p 178.1 -173.47 0.14 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.422 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.556 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -115.26 -166.74 15.1 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.303 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.664 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.0 mmt180 -63.21 -47.44 82.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.254 0.622 . . . . 0.0 111.597 -171.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 29' ' ' LEU . 6.3 tt -52.34 -47.64 65.95 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.919 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.632 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.0 m-85 -67.51 -32.62 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -174.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 55.4 mmtt -60.45 -35.11 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -72.5 -37.19 68.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.843 -176.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -55.69 -38.26 69.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 173.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 41.6 mtt -59.39 -34.6 72.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.863 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 47.6 mttt -73.31 -11.25 60.43 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.751 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -76.92 -13.51 59.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.107 0.956 . . . . 0.0 109.316 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' HG13 ' A' ' 65' ' ' ILE . 5.9 t70 -69.01 -39.56 79.23 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.788 171.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.854 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.2 t70 -75.42 -43.72 48.37 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.711 -2.04 . . . . 0.0 110.69 -173.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.8 p -60.05 -34.43 56.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.032 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.6 64.09 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.966 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 62' ' ' ASP . 53.4 mt -57.66 -35.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.151 0.501 . . . . 0.0 110.497 172.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -68.07 -49.32 62.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.46 0.648 . . . . 0.0 110.081 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -70.23 0.43 Allowed 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.66 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 49.9 m-85 -71.74 -37.26 70.58 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.202 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 100.17 142.46 13.09 Favored Glycine 0 N--CA 1.431 -1.694 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.773 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -43.03 58.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 124.177 0.575 . . . . 0.0 109.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.86 -52.96 63.07 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.106 0.479 . . . . 0.0 111.197 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.818 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -78.61 -2.5 39.26 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.636 -176.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.676 HG12 HD13 ' A' ' 104' ' ' ILE . 12.6 mt -90.4 -48.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 168.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -54.69 -47.74 73.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.619 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.28 -42.19 99.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.111 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.806 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -72.7 -53.5 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.477 -175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -53.22 -52.38 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.76 0.79 . . . . 0.0 111.626 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 77' ' ' VAL . 34.8 mt-10 -59.83 -39.63 85.72 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.432 -1.258 . . . . 0.0 112.328 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.54 96.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.945 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.807 ' HG3' HG12 ' A' ' 108' ' ' ILE . 18.4 mmt -42.68 -41.25 3.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.328 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.656 ' HB2' ' CG2' ' A' ' 117' ' ' ILE . 71.2 p . . . . . 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.367 -170.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.0 tt0 . . . . . 0 C--O 1.234 0.254 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.12 -40.1 92.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.847 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -37.9 76.35 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.047 0.451 . . . . 0.0 109.837 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 95' ' ' GLN . 92.5 mt -58.76 -54.14 50.5 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.337 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.1 m-30 -62.76 -39.78 95.25 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -33.52 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.838 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 57.2 m -67.77 -33.16 74.29 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.38 -54.84 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.348 178.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -64.07 -40.48 98.18 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.857 -0.687 . . . . 0.0 114.123 -174.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.676 HD13 HG12 ' A' ' 73' ' ' ILE . 6.3 tp -57.93 -41.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 109.93 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.817 ' HA ' HD12 ' A' ' 108' ' ' ILE . 74.8 m -73.91 -25.52 60.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.321 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.43 -35.24 73.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.332 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 9.0 mmtm -63.04 -30.26 71.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.453 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 105' ' ' CYS . 57.8 mt -75.71 -47.88 31.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.286 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.9 t -63.05 -36.62 84.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.069 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.54 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.6 pt-20 -71.89 -42.58 66.62 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.147 -0.346 . . . . 0.0 111.892 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -55.85 -33.06 64.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.833 0.349 . . . . 0.0 111.741 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -71.24 -19.85 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.9 79.0 Favored Glycine 0 C--O 1.225 -0.419 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.978 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.9 m-85 -52.85 -58.77 5.82 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -170.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.447 ' HG3' HG12 ' A' ' 117' ' ' ILE . 23.7 pttm -112.24 12.48 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 61.59 80.33 0.22 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.312 0.577 . . . . 0.0 110.957 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.656 ' CG2' ' HB2' ' A' ' 81' ' ' SER . 3.5 mt . . . . . 0 C--N 1.32 -0.681 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -175.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 137' ' ' ILE . 36.9 p -139.34 154.8 47.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.415 -174.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.761 ' HA ' HD13 ' A' ' 137' ' ' ILE . 16.1 t70 -48.38 -31.64 6.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.589 0.709 . . . . 0.0 110.978 165.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.44 ' O ' HD12 ' A' ' 139' ' ' ILE . 30.2 t70 -71.68 -26.99 62.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.585 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 139' ' ' ILE . 10.7 t-20 -79.78 -33.62 40.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.22 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.761 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -56.69 -39.55 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 179.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 20.5 m-80 -64.45 -42.93 95.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.792 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.8 mt -63.46 -40.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.584 0.706 . . . . 0.0 109.625 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.77 -50.98 66.88 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.126 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.8 mm -51.13 -47.07 32.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -65.57 -48.94 70.66 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.096 -175.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -56.49 -47.69 78.72 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.962 0.887 . . . . 0.0 110.565 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.787 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 54.9 mt -67.8 -41.27 83.4 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.074 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.5 mt-10 -53.3 -24.15 10.98 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.101 0.876 . . . . 0.0 112.813 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.618 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 13.3 mmmm -48.28 -39.09 20.5 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.885 171.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.618 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.32 -19.81 7.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.446 1.117 . . . . 0.0 110.157 178.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.787 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -83.78 176.04 9.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.725 175.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.0 -170.158 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.435 -1.2 0 CA-C-O 120.94 0.4 . . . . 0.0 111.048 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -52.91 145.89 11.85 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.656 0.741 . . . . 0.0 112.331 174.208 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -108.39 -48.53 3.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.398 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.783 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -77.34 -6.92 55.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.021 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -44.22 -47.36 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.43 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.603 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 18.0 t70 -115.67 17.89 16.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.304 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.0 t70 -53.58 -38.05 63.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.705 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.846 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 74.31 -18.53 0.41 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.452 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.5 pttp -122.72 172.92 8.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 C-N-CA 123.439 0.696 . . . . 0.0 111.241 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -81.28 135.72 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.175 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -102.86 -169.79 1.71 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.562 0.696 . . . . 0.0 111.237 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -71.79 168.45 17.8 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.627 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.7 mtt180 -55.49 -44.33 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.018 0.913 . . . . 0.0 109.247 168.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.69 -5.78 42.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.245 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.3 t -99.3 -24.27 14.89 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.692 -173.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.559 ' HB ' HG13 ' A' ' 137' ' ' ILE . 21.0 mm -81.21 -6.69 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 122.586 1.184 . . . . 0.0 107.918 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.1 mm -72.58 -55.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-N 113.134 -1.848 . . . . 0.0 110.25 177.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -73.05 -30.71 63.92 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 122.357 1.075 . . . . 0.0 108.479 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 53' ' ' LEU . 24.1 tp -50.65 -49.35 57.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 112.464 -2.153 . . . . 0.0 113.192 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 30' ' ' ILE . 4.1 mm -59.69 -35.7 61.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.065 -176.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.5 -42.04 68.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -57.97 -50.7 72.48 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.809 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -65.48 -56.97 9.5 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.9 -174.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -55.23 -33.8 31.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.819 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' CD2' ' A' ' 39' ' ' HIS . 40.4 m -77.96 -34.08 51.24 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.112 -0.368 . . . . 0.0 110.913 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.8 t90 -66.75 -36.57 82.74 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.417 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.85 -23.3 52.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.258 174.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -84.57 -49.59 8.45 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.664 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 15.8 m-70 -52.33 -33.94 44.91 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.5 t -67.55 -23.07 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 122.179 0.99 . . . . 0.0 109.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 110' ' ' GLU . 26.4 mm -92.2 -61.21 2.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.085 -175.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.18 -49.2 41.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.418 -179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -88.53 -12.2 43.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.35 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.4 t-20 51.55 58.16 5.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.375 -171.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 5.4 mtpm? -75.76 -138.3 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.696 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 24.4 m-20 -134.63 137.17 43.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.542 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.409 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.9 tp -70.65 -28.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 122.275 1.036 . . . . 0.0 109.836 172.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.3 p -75.26 -17.03 60.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.997 -1.456 . . . . 0.0 108.919 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 30.3 t -84.44 82.22 8.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.061 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.3 p -176.06 -170.16 0.36 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.737 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.603 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -112.75 -167.71 17.23 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.858 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.846 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mtt180 -67.79 -44.61 76.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.537 0.684 . . . . 0.0 111.343 -171.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 29' ' ' LEU . 3.9 tt -52.0 -46.26 64.84 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.098 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.2 -32.36 72.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -175.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 49.4 mmtt -63.07 -33.87 76.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 144' ' ' LEU . 5.1 tp10 -72.72 -36.63 67.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.671 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -59.34 -38.18 79.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.767 173.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 42.6 mtt -57.34 -33.26 67.56 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.688 0.756 . . . . 0.0 109.82 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 59.3 mttt -71.18 -13.0 61.78 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.175 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.686 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -83.12 -14.34 53.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.881 0.848 . . . . 0.0 109.635 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' HG13 ' A' ' 65' ' ' ILE . 20.1 t70 -67.9 -38.92 83.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 172.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.7 t70 -76.6 -41.39 46.33 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.048 -2.342 . . . . 0.0 110.532 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -62.46 -31.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -72.96 -44.97 60.5 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.212 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 62' ' ' ASP . 48.2 mt -56.62 -35.32 44.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.694 0.759 . . . . 0.0 110.411 172.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -66.98 -44.71 79.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.794 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.6 OUTLIER -82.87 -69.73 0.61 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.687 -171.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.092 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 105.76 142.08 10.89 Favored Glycine 0 N--CA 1.43 -1.708 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.123 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.444 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.3 tp -58.46 -44.78 89.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 114.883 -0.658 . . . . 0.0 110.325 -174.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.33 -51.68 68.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 120.777 0.323 . . . . 0.0 111.459 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 1.5 mmpt? -63.85 -42.96 97.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.415 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 104' ' ' ILE . 31.3 mt -56.48 -47.16 82.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 177.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -53.26 -48.29 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.1 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.74 -39.64 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.596 0.712 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.826 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.0 OUTLIER -71.51 -52.51 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.387 -175.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.991 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.0 p -51.62 -52.6 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.751 0.786 . . . . 0.0 111.308 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' N ' HG13 ' A' ' 77' ' ' VAL . 39.0 mt-10 -60.75 -32.67 71.96 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.04 -1.437 . . . . 0.0 112.302 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -52.15 64.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.94 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.826 ' HE3' HG23 ' A' ' 76' ' ' ILE . 9.6 mmt -48.53 -30.74 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.388 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG21 ' A' ' 117' ' ' ILE . 20.2 m . . . . . 0 N--CA 1.44 -0.943 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.963 -174.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.5 ' HA ' HD23 ' A' ' 98' ' ' LEU . 51.4 tt0 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.858 0.361 . . . . 0.0 111.205 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.77 -46.54 81.41 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.461 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t -65.21 -34.51 78.55 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.319 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.543 HD12 ' ND2' ' A' ' 136' ' ' ASN . 4.3 mm? -56.45 -42.01 77.44 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -73.56 -39.04 64.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.864 0.364 . . . . 0.0 111.914 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -56.89 -40.48 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.347 -174.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.616 ' HA ' HG22 ' A' ' 104' ' ' ILE . 5.3 m -66.95 -21.62 65.97 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.07 -52.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.712 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.63 -39.33 95.36 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.358 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.686 HD13 HG12 ' A' ' 73' ' ' ILE . 4.9 tp -59.96 -37.14 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.6 t -73.16 -28.57 62.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -72.55 -37.96 68.11 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.254 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -70.36 -30.13 66.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.601 0.715 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.991 ' HA ' HG23 ' A' ' 77' ' ' VAL . 31.7 mt -71.58 -50.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.151 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 t -63.74 -35.9 82.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.02 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.558 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.8 pt-20 -68.75 -39.05 80.49 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 122.165 -0.334 . . . . 0.0 111.82 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -56.65 -30.77 63.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.404 0.621 . . . . 0.0 111.053 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.405 ' HB3' ' O ' ' A' ' 117' ' ' ILE . 51.7 m0 -72.39 -19.31 61.63 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -71.21 -45.42 49.1 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.083 -0.579 . . . . 0.0 114.205 -169.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.524 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -57.19 -59.1 5.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.238 0.519 . . . . 0.0 111.878 -170.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HE2' HD11 ' A' ' 117' ' ' ILE . 19.8 pttm -109.61 22.08 16.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? 60.09 69.31 0.71 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.912 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.6 mt . . . . . 0 C--N 1.323 -0.586 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.731 -176.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.801 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.2 ppp? . . . . . 0 N--CA 1.466 0.369 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 135' ' ' ASP . 1.5 p -142.29 165.8 26.44 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.97 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.946 ' HA ' HD13 ' A' ' 137' ' ' ILE . 2.0 p-10 -50.01 -27.46 5.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.909 171.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 133' ' ' THR . 8.4 t70 -69.64 -32.5 71.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.801 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 12.7 t-20 -79.07 -28.01 43.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.256 -175.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.946 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.3 mp -54.06 -39.25 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.772 175.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.555 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.2 m-80 -67.04 -41.35 86.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.771 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.3 mp -61.16 -41.6 90.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.56 -51.81 60.91 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.845 -175.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.686 ' HA ' HD11 ' A' ' 20' ' ' ILE . 28.5 mm -51.52 -42.9 30.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.959 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.82 -49.33 66.13 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.651 -175.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 69.9 t80 -57.57 -47.22 82.68 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.942 0.877 . . . . 0.0 110.534 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.636 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 52.7 mt -66.1 -41.35 90.74 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.652 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.497 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.5 mt-10 -53.47 -25.3 15.8 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.017 0.823 . . . . 0.0 112.465 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 28.1 mmtp -48.66 -37.14 17.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.196 171.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.446 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.38 -10.44 7.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 122.198 0.999 . . . . 0.0 110.205 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.758 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -101.14 178.83 4.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.522 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.497 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.9 t-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.149 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.443 -0.788 0 CA-C-O 120.593 0.235 . . . . 0.0 111.63 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.79 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.92 138.47 24.4 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.508 178.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -107.46 -42.22 4.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.685 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -82.45 -0.84 48.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.122 -179.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -44.62 -62.49 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.009 168.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.578 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.9 t70 -100.47 20.85 14.15 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.553 0.692 . . . . 0.0 109.657 -174.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.685 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 18.0 t70 -53.5 -36.35 61.63 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.785 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 73.93 -21.8 0.26 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.824 174.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' C ' HD13 ' A' ' 148' ' ' LEU . 20.8 pttp -122.61 172.34 8.47 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.466 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.5 tp -76.22 133.77 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.513 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.21 -169.3 1.74 Allowed 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 121.7 0.762 . . . . 0.0 111.922 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.7 t -72.42 161.89 30.2 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.003 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 137' ' ' ILE . 46.1 mtm180 -56.3 -40.52 74.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.241 1.02 . . . . 0.0 109.112 168.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.07 -6.2 44.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.107 -1.406 . . . . 0.0 110.629 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.0 t -106.22 -13.84 15.3 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.43 -170.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 18.6 mm -89.22 -5.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.31 -54.89 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.584 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.3 m-20 -71.72 -28.15 63.49 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.985 -1.462 . . . . 0.0 108.577 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 25' ' ' SER . 24.2 tp -61.3 -46.27 90.99 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.169 -169.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 30' ' ' ILE . 1.5 mm -59.75 -28.99 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.79 -43.33 55.31 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.79 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.9 mm-40 -58.63 -51.46 69.81 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.929 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.16 -56.82 14.94 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 120.763 0.316 . . . . 0.0 111.109 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mm -51.54 -41.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.534 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 53.7 m -70.98 -36.59 72.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.737 176.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.6 t90 -67.82 -37.71 82.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.117 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.09 -23.17 61.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.193 0.52 . . . . 0.0 109.653 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.7 t-20 -86.53 -42.36 13.59 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -54.25 -32.85 57.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.529 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.963 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 17.2 t -70.92 -20.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 122.146 0.974 . . . . 0.0 109.835 -177.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.516 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.9 mm -95.64 -61.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 114.482 -1.236 . . . . 0.0 112.684 -174.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -52.28 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.277 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.8 m-85 -87.38 -9.21 55.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.848 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.5 t-20 54.84 49.33 18.08 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.969 -172.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.963 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 15.9 mtpt -67.7 -167.13 0.06 Allowed 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.663 175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 5.1 t0 -104.44 139.81 38.84 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.811 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.5 tp -71.81 -28.04 29.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.964 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.1 p -84.45 -12.74 53.79 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.939 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.587 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 30.8 t -76.0 81.7 2.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.163 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.644 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 34.9 t 175.33 -173.43 0.08 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.912 0.885 . . . . 0.0 109.014 175.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.652 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -88.94 -146.71 13.45 Favored Glycine 0 C--O 1.217 -0.963 0 CA-C-O 121.847 0.693 . . . . 0.0 114.724 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.785 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.4 mmt180 -84.45 -45.22 12.91 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 123.493 0.717 . . . . 0.0 111.516 171.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -49.08 -48.98 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.626 -170.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.7 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.77 -37.43 86.3 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -170.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 58.3 mmtt -45.13 -39.44 6.04 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.203 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 144' ' ' LEU . 11.2 tp10 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.33 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -58.18 -37.31 74.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.208 172.199 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.415 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 50.1 mtt -56.0 -32.54 64.05 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.841 0.829 . . . . 0.0 110.267 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.413 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 52.8 mttt -75.16 -9.23 58.35 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.852 -176.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.9 m-30 -86.34 -17.1 35.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.09 0.948 . . . . 0.0 109.156 172.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 9.5 t70 -69.34 -38.1 77.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 25.5 t70 -78.86 -39.74 34.44 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.127 -2.306 . . . . 0.0 110.377 -174.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -62.45 -33.41 59.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.719 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.05 61.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.315 -1.312 . . . . 0.0 111.105 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.7 mt -58.08 -35.57 53.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.704 0.764 . . . . 0.0 109.966 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -69.76 -37.56 76.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.473 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -89.61 -72.51 0.55 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.764 -172.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -67.58 -41.25 84.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.441 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 109.76 142.33 9.48 Favored Glycine 0 N--CA 1.427 -1.959 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.889 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.0 tp -56.34 -44.82 80.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 O-C-N 124.4 0.706 . . . . 0.0 109.777 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 12.4 t70 -56.68 -52.74 63.77 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.344 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.44 -42.9 99.8 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.425 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.793 HG12 HD13 ' A' ' 104' ' ' ILE . 36.5 mt -60.47 -46.31 95.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.663 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -53.08 -48.71 67.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.827 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 20.5 mt-10 -70.92 -34.69 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.805 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.838 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.46 -52.8 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.779 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.678 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.32 -51.14 51.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.726 0.774 . . . . 0.0 111.691 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 24.2 mt-10 -56.62 -40.6 75.64 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.078 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.67 73.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.838 ' HE3' HG23 ' A' ' 76' ' ' ILE . 10.2 mmt -48.54 -31.87 7.15 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 175.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.555 ' HB3' HG21 ' A' ' 117' ' ' ILE . 22.1 m . . . . . 0 N--CA 1.441 -0.88 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.882 -171.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.529 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.6 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 121.07 0.462 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 38.4 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.662 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -72.7 -36.89 67.95 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' GLN . 82.2 mt -61.22 -51.89 67.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.56 -38.35 89.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.154 0.502 . . . . 0.0 110.706 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.09 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -65.84 -33.11 75.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -71.25 -53.91 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.397 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.634 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -64.81 -39.87 96.92 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.911 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.793 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.11 -37.47 68.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.56 -30.51 64.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.206 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.71 -38.57 73.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.286 0.234 . . . . 0.0 110.54 -175.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.06 -30.67 70.47 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.552 0.692 . . . . 0.0 110.333 -179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.678 ' HA ' HG23 ' A' ' 77' ' ' VAL . 38.4 mt -77.38 -51.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 106' ' ' ALA . 9.8 t -60.98 -38.82 87.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.811 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 14.5 pt-20 -70.95 -39.41 72.61 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.151 -0.343 . . . . 0.0 111.183 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -58.9 -28.01 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.22 0.533 . . . . 0.0 110.673 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.53 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 43.9 m0 -77.26 -20.95 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -63.67 -40.87 99.04 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 114.213 0.445 . . . . 0.0 114.213 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.516 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.1 m-85 -55.56 -57.07 13.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.306 0.553 . . . . 0.0 112.106 -169.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' A' ' 117' ' ' ILE . 60.0 pttt -111.45 18.56 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.68 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 59.8 59.55 2.46 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.65 0.738 . . . . 0.0 110.196 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 81' ' ' SER . 16.4 mt . . . . . 0 C--N 1.324 -0.525 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.924 -172.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.778 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? . . . . . 0 N--CA 1.452 -0.361 0 N-CA-C 108.122 -1.066 . . . . 0.0 108.122 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 137' ' ' ILE . 44.4 p -139.71 155.4 47.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.585 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.935 ' HA ' HD13 ' A' ' 137' ' ' ILE . 4.6 t70 -48.3 -32.66 7.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.443 0.639 . . . . 0.0 110.693 166.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.48 -33.26 75.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.341 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.778 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.4 t-20 -79.14 -27.88 42.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.06 -174.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.935 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -57.1 -38.66 61.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.703 177.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.2 m-80 -65.38 -42.74 92.35 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.465 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.24 -42.09 93.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.18 -52.75 61.12 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.059 -176.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.58 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.9 mm -51.1 -43.46 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.934 175.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.18 -48.79 66.9 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.623 -175.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 57.1 t80 -57.66 -47.49 82.13 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.018 0.914 . . . . 0.0 110.351 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 57.7 mt -65.65 -41.71 92.23 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.639 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.443 ' HG3' HG12 ' A' ' 20' ' ' ILE . 12.9 mt-10 -53.7 -24.82 15.84 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.197 0.935 . . . . 0.0 112.639 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.633 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 18.8 mmmt -48.91 -40.74 31.1 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.353 170.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.633 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -114.71 -27.95 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.343 1.068 . . . . 0.0 109.762 178.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.677 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -84.42 176.24 8.8 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.228 -1.805 . . . . 0.0 110.015 178.055 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.587 ' HB2' HG21 ' A' ' 20' ' ' ILE . 52.9 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 119.005 -0.521 . . . . 0.0 109.939 -168.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.443 -0.798 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.72 145.96 8.62 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.695 0.759 . . . . 0.0 112.642 176.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -107.76 -45.97 3.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.389 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -82.86 -3.82 57.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.965 -177.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 p -41.87 -49.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.055 173.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.624 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 37.3 t70 -114.84 19.82 15.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.867 0.867 . . . . 0.0 110.588 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.9 t70 -53.34 -35.35 60.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.293 -173.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.737 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER 73.09 -28.95 0.2 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.754 177.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' C ' HD13 ' A' ' 148' ' ' LEU . 54.5 pttt -113.69 171.53 7.52 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.45 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.6 tp -80.99 155.93 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.6 -168.15 1.73 Allowed 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 118.384 0.538 . . . . 0.0 110.097 -170.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -67.05 157.12 34.3 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.93 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' HG21 ' A' ' 137' ' ' ILE . 98.6 mtt180 -57.24 -37.72 72.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.09 0.947 . . . . 0.0 109.46 170.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.53 -2.36 31.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.194 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.5 t -103.31 -10.26 18.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.828 -173.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 mm -88.05 -7.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -70.78 -55.62 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 112.845 -1.979 . . . . 0.0 109.967 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.81 -36.27 70.21 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.084 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 53' ' ' LEU . 20.1 tp -50.7 -52.63 38.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 112.501 -2.136 . . . . 0.0 113.757 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.703 HG13 ' SD ' ' A' ' 132' ' ' MET . 2.5 mm -61.37 -28.76 44.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.307 0.575 . . . . 0.0 110.458 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.41 -44.14 46.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.259 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -58.41 -50.58 73.17 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 176.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -61.73 -58.0 9.72 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.946 0.403 . . . . 0.0 111.203 -169.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 109' ' ' THR . 43.3 mm -48.2 -42.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.695 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -69.31 -35.67 76.22 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.117 0.484 . . . . 0.0 110.751 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 64.9 t90 -67.22 -39.94 86.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.515 HH21 ' CD ' ' A' ' 110' ' ' GLU . 38.8 mmm-85 -54.55 -27.41 38.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.605 0.566 . . . . 0.0 110.333 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.1 t-20 -85.73 -44.4 12.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HA ' HG23 ' A' ' 42' ' ' VAL . 5.6 m-70 -54.46 -35.1 62.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.244 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.762 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 18.8 t -60.08 -30.95 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 121.754 0.787 . . . . 0.0 110.522 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 110' ' ' GLU . 27.1 mm -84.39 -62.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.31 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -47.98 -50.33 10.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.749 -178.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -90.67 -8.37 50.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.704 -175.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 54.78 52.27 12.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.19 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.762 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 96.2 mttt -76.22 -145.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.883 177.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 49' ' ' SER . 10.7 m-20 -134.85 134.47 40.81 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.147 0.498 . . . . 0.0 110.602 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tp -78.64 -31.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.681 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -75.79 -17.18 59.96 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.587 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -91.19 82.11 5.52 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 113.091 -1.868 . . . . 0.0 110.836 -175.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -165.94 -162.07 0.53 Allowed 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.342 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.624 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -99.88 -173.46 30.47 Favored Glycine 0 N--CA 1.429 -1.831 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.769 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.737 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 57.1 mtp180 -71.46 -42.55 68.02 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.738 0.78 . . . . 0.0 111.093 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.88 -43.07 59.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 113.608 -1.633 . . . . 0.0 110.409 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.8 m-30 -73.59 -40.47 63.84 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.991 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 24.5 mmtp -50.65 -33.95 24.43 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.868 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.659 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.7 tp10 -72.04 -40.7 68.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.51 -37.03 69.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 172.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 55' ' ' LYS . 50.8 mtt -57.41 -33.05 67.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.308 0.575 . . . . 0.0 110.292 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 59.5 mttt -70.27 -17.48 63.11 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.908 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -77.01 -15.57 59.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.728 0.775 . . . . 0.0 109.764 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.626 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.3 t70 -69.47 -39.53 77.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.5 t70 -78.9 -39.91 33.64 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.533 -2.121 . . . . 0.0 110.644 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.6 p -60.4 -35.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.438 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.13 63.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.929 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 62' ' ' ASP . 69.6 mt -56.62 -36.33 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.172 0.511 . . . . 0.0 111.041 172.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.3 ttt-85 -72.18 -48.11 45.7 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.424 0.63 . . . . 0.0 110.427 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -68.44 -72.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.766 -174.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.63 -39.53 57.67 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.099 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 108.47 144.07 10.8 Favored Glycine 0 N--CA 1.428 -1.853 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.059 174.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -56.47 -43.45 77.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 O-C-N 124.295 0.644 . . . . 0.0 109.568 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.522 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.9 t70 -56.54 -53.62 55.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.371 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.21 -44.1 92.96 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.409 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.791 HG12 HD13 ' A' ' 104' ' ' ILE . 37.0 mt -58.57 -46.46 90.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.214 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 23.3 mt-10 -72.67 -39.03 67.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.284 0.564 . . . . 0.0 110.543 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.9 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.1 mp -66.08 -52.58 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.873 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.937 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.6 p -51.63 -50.33 31.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 122.088 0.947 . . . . 0.0 111.117 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 77' ' ' VAL . 96.1 mt-10 -57.01 -41.95 79.45 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.486 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.65 -51.97 67.53 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.44 178.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.9 ' HE3' HG23 ' A' ' 76' ' ' ILE . 8.4 mmt -48.7 -28.75 3.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 111.063 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.505 ' HB3' ' CG2' ' A' ' 117' ' ' ILE . 30.7 m . . . . . 0 N--CA 1.437 -1.082 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -173.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.3 tt0 . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.938 0.399 . . . . 0.0 110.751 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.79 -45.23 70.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.703 176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.4 m -70.04 -37.05 75.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 95' ' ' GLN . 85.7 mt -56.9 -54.59 44.79 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.615 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.3 m-30 -63.11 -40.96 99.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.76 69.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.0 m -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.938 -177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.32 -51.73 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.91 -40.72 97.43 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.899 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.791 HD13 HG12 ' A' ' 73' ' ' ILE . 5.5 tp -57.44 -44.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.529 ' HA ' HD12 ' A' ' 108' ' ' ILE . 95.7 m -72.02 -25.4 61.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.56 74.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.088 0.47 . . . . 0.0 110.281 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.541 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -71.6 -29.48 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.918 -177.612 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.937 ' HA ' HG23 ' A' ' 77' ' ' VAL . 43.7 mt -69.51 -50.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.205 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.673 HG21 HG23 ' A' ' 34' ' ' ILE . 15.4 t -66.39 -31.49 72.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.343 -174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.541 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 19.2 pt-20 -72.31 -45.44 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -55.59 -30.85 61.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 111.301 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.686 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.7 m0 -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -56.36 -49.73 66.85 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.302 0.481 . . . . 0.0 114.302 -172.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 41' ' ' ILE . 30.3 m-85 -59.98 -62.96 1.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.343 0.571 . . . . 0.0 112.513 -168.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' HG12 ' A' ' 117' ' ' ILE . 59.3 pttt -104.49 10.21 35.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.913 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? 59.38 75.64 0.39 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.57 0.7 . . . . 0.0 109.39 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.686 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.4 mt . . . . . 0 C--N 1.323 -0.554 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.429 -170.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.703 ' SD ' HG13 ' A' ' 30' ' ' ILE . 22.0 ptm . . . . . 0 CA--C 1.517 -0.32 0 CA-C-O 121.122 0.487 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.3 p -106.96 -174.25 2.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.798 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -84.68 -28.2 26.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.47 -23.7 60.1 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 111.833 -2.44 . . . . 0.0 110.267 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.585 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 16.6 t-20 -75.41 -26.7 58.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.798 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -58.8 -39.78 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 CA-C-N 113.169 -1.832 . . . . 0.0 109.592 174.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.541 ' O ' HD13 ' A' ' 142' ' ' LEU . 0.9 OUTLIER -70.49 -41.09 73.15 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.131 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.59 -39.83 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.751 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.43 -51.79 61.35 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.702 -178.037 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 20' ' ' ILE . 21.9 mm -50.6 -44.33 25.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 121.366 0.603 . . . . 0.0 109.81 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -68.26 -48.55 64.75 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.884 -174.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 61.0 t80 -57.94 -46.72 84.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.084 0.945 . . . . 0.0 110.446 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 41.3 mt -65.44 -44.23 87.97 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.84 -1.527 . . . . 0.0 110.281 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.6 mt-10 -52.96 -25.06 10.78 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.151 0.907 . . . . 0.0 112.688 -176.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.611 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 31.3 mmtt -49.02 -40.32 30.59 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.365 170.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.611 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -116.55 -15.54 10.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.116 0.96 . . . . 0.0 110.109 177.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.679 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.99 178.01 5.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.471 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.0 t-20 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 123.361 0.664 . . . . 0.0 110.42 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.447 -0.616 0 CA-C-O 120.478 0.18 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.887 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.44 138.52 33.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 121.48 0.657 . . . . 0.0 112.558 174.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -102.35 -52.44 3.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.512 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.715 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -76.49 -0.99 25.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.18 -175.308 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.59 HG13 ' H ' ' A' ' 16' ' ' ASP . 2.6 p -43.61 -62.81 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.938 167.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.59 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.6 t70 -100.46 20.8 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.539 0.685 . . . . 0.0 110.199 -173.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.1 t0 -56.76 -36.76 70.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.858 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.69 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.4 t70 74.6 -26.04 0.2 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.296 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 17' ' ' ASP . 63.0 pttt -123.57 171.75 9.29 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.849 -174.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 7.1 tp -78.96 139.51 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.162 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -100.9 -169.66 1.74 Allowed 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 121.399 0.619 . . . . 0.0 111.505 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -72.88 164.89 25.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.798 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' HG21 ' A' ' 137' ' ' ILE . 25.9 mtm180 -55.37 -42.3 73.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.08 0.943 . . . . 0.0 109.342 168.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.88 -7.95 44.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.785 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 23.1 t -101.54 -16.38 16.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.993 -171.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.751 ' HB ' HG13 ' A' ' 137' ' ' ILE . 22.1 mm -85.76 -8.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' CD1' ' A' ' 137' ' ' ILE . 39.8 mm -68.32 -55.94 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 112.969 -1.923 . . . . 0.0 109.348 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 m-20 -72.66 -28.76 62.92 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 113.859 -1.519 . . . . 0.0 108.972 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 53' ' ' LEU . 23.5 tp -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 112.735 -2.029 . . . . 0.0 112.098 -170.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.64 HG13 ' HG2' ' A' ' 132' ' ' MET . 2.7 mm -61.46 -31.38 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.683 -177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.36 -42.22 62.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.887 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.1 mm-40 -58.38 -51.86 68.05 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.383 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 57' ' ' LEU . 69.6 t80 -64.72 -56.73 11.86 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.322 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 38.6 mm -51.29 -40.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.786 177.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 59.9 m -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.914 0.388 . . . . 0.0 110.748 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . 91.0 t90 -67.09 -37.45 83.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 0.0 110.55 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.627 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -57.77 -23.07 50.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.288 0.566 . . . . 0.0 110.055 173.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.0 t-20 -86.61 -46.36 10.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.558 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 6.2 m-70 -52.12 -40.0 60.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.964 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 6.5 t -59.49 -24.9 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.569 0.7 . . . . 0.0 110.987 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 110' ' ' GLU . 22.1 mm -92.25 -66.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.85 -175.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -49.35 68.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.196 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.486 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.1 m-85 -88.03 -4.19 58.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.196 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 52.14 43.47 30.51 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.387 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 14.4 mtpp -68.13 -166.56 0.07 Allowed 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.707 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 6.6 t0 -105.26 140.13 38.87 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.496 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -72.61 -26.72 24.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.441 173.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -88.36 -10.48 49.23 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.941 0.877 . . . . 0.0 109.187 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.0 t -72.88 82.25 1.19 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.186 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.712 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 36.6 t 172.47 -171.82 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.836 0.854 . . . . 0.0 109.324 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.646 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -90.56 -143.52 11.0 Favored Glycine 0 N--CA 1.468 0.833 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -171.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.69 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 14.1 mtt180 -83.57 -50.29 8.38 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.341 1.067 . . . . 0.0 112.451 170.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -48.67 -44.76 38.07 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.935 -167.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -65.89 -37.29 85.71 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -172.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 57.7 mmtt -45.42 -37.74 5.39 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.39 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG2' HD23 ' A' ' 144' ' ' LEU . 4.1 tp10 -74.91 -36.85 62.18 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 121.087 0.47 . . . . 0.0 110.425 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -57.33 -37.01 71.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.847 172.478 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtt -55.21 -35.03 64.44 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.514 0.674 . . . . 0.0 110.137 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -71.05 -12.89 61.77 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.619 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.601 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.7 m-30 -80.27 -17.01 53.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.057 0.932 . . . . 0.0 109.214 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.4 t70 -69.61 -42.3 74.58 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.484 172.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.808 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.4 t70 -75.82 -41.4 52.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 112.301 -2.227 . . . . 0.0 110.521 -173.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -61.19 -34.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.808 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.16 -40.51 64.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.014 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 62' ' ' ASP . 51.8 mt -58.41 -34.96 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 110.327 172.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.25 -46.12 61.72 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.33 0.586 . . . . 0.0 110.609 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.531 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -76.43 -71.38 0.39 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.158 -172.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.88 -36.78 70.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.29 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.59 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.91 140.17 11.24 Favored Glycine 0 N--CA 1.431 -1.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.062 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.404 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.1 tp -56.21 -43.88 77.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.671 -0.764 . . . . 0.0 109.892 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -59.06 -50.83 72.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.332 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -61.21 -46.12 91.74 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 177.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 104' ' ' ILE . 46.0 mt -57.66 -47.38 85.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.603 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.47 -43.34 68.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.015 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -70.06 -37.02 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.29 0.567 . . . . 0.0 110.756 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.733 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.99 -52.99 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.769 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.1 p -52.73 -49.86 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.809 0.814 . . . . 0.0 111.471 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' SER . 9.7 mt-10 -61.41 -31.13 71.05 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.81 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.4 72.52 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.981 0.42 . . . . 0.0 110.135 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.733 ' HE3' HG23 ' A' ' 76' ' ' ILE . 8.2 mmt -53.69 -27.29 26.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.606 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 46.4 t . . . . . 0 N--CA 1.446 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.287 -176.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 98' ' ' LEU . 61.5 tt0 . . . . . 0 N--CA 1.45 -0.434 0 CA-C-O 121.556 0.693 . . . . 0.0 109.561 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.0 tt0 -61.65 -32.22 72.38 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.134 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.5 t -79.99 -35.42 37.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.628 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.487 ' HB3' HD21 ' A' ' 136' ' ' ASN . 83.9 mt -53.98 -58.15 8.39 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.08 -41.34 98.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.51 -32.88 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 34.0 m -65.32 -32.65 74.42 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.722 -178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.65 -55.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.668 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.57 -38.31 94.56 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.814 -0.707 . . . . 0.0 114.062 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.768 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -60.47 -35.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.21 -31.1 63.97 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.352 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.627 ' HB1' ' HD3' ' A' ' 37' ' ' ARG . . . -71.21 -33.76 70.2 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' LYS . 13.2 tptt -62.48 -31.03 71.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.751 0.786 . . . . 0.0 110.531 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HG3' ' A' ' 80' ' ' MET . 31.0 mt -77.53 -48.51 24.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.174 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 106' ' ' ALA . 11.2 t -60.76 -38.1 84.06 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.103 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 41' ' ' ILE . 11.3 pt-20 -72.03 -45.23 61.63 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.123 -0.361 . . . . 0.0 111.663 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 22.8 t-80 -58.05 -27.38 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 111.413 -173.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.444 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 44.0 m0 -76.94 -21.19 55.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.389 -174.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.51 61.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 114.971 0.748 . . . . 0.0 114.971 -167.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.437 ' CE1' HG23 ' A' ' 41' ' ' ILE . 16.8 m-85 -53.85 -53.16 56.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -110.87 10.35 22.42 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.969 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 57.69 73.57 0.46 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.671 0.748 . . . . 0.0 111.037 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.444 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 16.8 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.053 -177.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.793 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? . . . . . 0 CA--C 1.519 -0.216 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 137' ' ' ILE . 30.3 p -129.76 152.92 48.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.542 -169.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.995 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.8 t70 -49.96 -27.15 4.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.991 167.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -71.66 -31.84 67.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.458 177.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.793 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 13.5 t-20 -77.81 -28.96 50.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -175.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.995 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.1 mp -54.84 -40.12 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.55 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 24.7 m-80 -65.93 -41.94 90.71 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.565 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.9 mp -63.38 -42.62 96.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.46 -51.55 62.48 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.057 -176.537 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.561 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.2 mm -50.68 -45.71 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.27 -50.09 61.75 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.161 -175.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.474 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 61.8 t80 -57.19 -47.24 81.75 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 121.974 0.892 . . . . 0.0 110.243 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 59.1 mt -65.98 -44.29 85.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.505 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' ILE . 21.5 mt-10 -53.17 -24.27 10.38 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.005 0.815 . . . . 0.0 112.84 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 28.1 mmtp -49.34 -38.63 28.68 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.462 170.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.26 -12.97 7.78 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.057 0.932 . . . . 0.0 110.177 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -99.72 177.03 5.26 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.349 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.62 ' HA ' HG22 ' A' ' 20' ' ' ILE . 10.8 t-20 . . . . . 0 C--O 1.25 1.129 0 O-C-N 125.416 1.697 . . . . 0.0 109.245 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.44 -0.952 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.643 ' CE1' ' HD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -51.0 150.56 2.99 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.84 0.829 . . . . 0.0 112.912 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -108.55 -52.34 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.487 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.655 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.24 -0.42 32.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.104 -177.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -47.16 -60.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.564 0.697 . . . . 0.0 109.649 168.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.509 ' H ' HG13 ' A' ' 15' ' ' VAL . 12.6 t70 -102.29 19.12 19.35 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.134 -171.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.655 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 23.2 t70 -53.42 -35.67 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.156 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.73 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 16.1 t70 75.82 -20.13 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.908 174.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' C ' HD13 ' A' ' 148' ' ' LEU . 16.1 ptpt -131.13 172.84 11.65 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.14 0.495 . . . . 0.0 111.623 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.734 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.7 tp -75.32 134.03 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -99.31 -167.94 1.55 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 121.545 0.688 . . . . 0.0 112.078 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -70.15 161.9 29.34 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.187 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 137' ' ' ILE . 99.0 mtt180 -54.63 -41.61 70.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.948 0.88 . . . . 0.0 109.413 168.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.75 -6.38 46.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.458 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.3 t -103.82 -12.35 16.98 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.102 -171.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.591 HG23 HD23 ' A' ' 29' ' ' LEU . 21.3 mm -89.07 -6.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.71 -56.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.098 -1.865 . . . . 0.0 109.637 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.94 -32.64 63.6 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 53' ' ' LEU . 23.6 tp -49.3 -49.52 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 112.765 -2.016 . . . . 0.0 113.432 -176.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 30' ' ' ILE . 2.3 mm -60.25 -30.5 46.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.17 0.509 . . . . 0.0 110.736 -177.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.81 -44.91 54.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.7 -50.78 72.61 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 54' ' ' TYR . 75.6 t80 -63.02 -57.32 11.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.851 -175.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.568 HG23 HG21 ' A' ' 109' ' ' THR . 36.0 mm -49.52 -47.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.238 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 63.5 m -65.12 -35.64 81.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.094 0.473 . . . . 0.0 110.816 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.7 t90 -67.67 -38.65 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.769 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -54.88 -30.17 57.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.404 0.621 . . . . 0.0 109.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 23.1 t-20 -82.47 -45.21 15.04 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.62 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.5 -42.3 61.59 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.081 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.932 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 12.2 t -56.52 -30.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.712 0.767 . . . . 0.0 110.15 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.531 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.3 mm -86.67 -66.95 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.486 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -49.7 -53.0 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.898 -178.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -85.81 -5.0 59.31 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.14 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.52 45.0 20.22 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.56 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.932 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 54.9 mtpt -79.29 -158.92 0.17 Allowed 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.133 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 18.2 m-20 -121.74 132.22 54.5 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.362 -177.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.527 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.6 tp -70.86 -27.55 30.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.286 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -80.64 -11.13 59.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.375 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -93.24 82.47 4.52 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.088 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 14.2 t -177.94 -169.57 0.21 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.712 175.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.605 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -89.24 -150.98 23.6 Favored Glycine 0 C--O 1.213 -1.212 0 CA-C-O 121.737 0.632 . . . . 0.0 114.564 -170.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.73 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 43.7 mtt180 -85.09 -44.99 12.5 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.831 0.824 . . . . 0.0 112.05 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -49.86 -46.35 51.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.491 -171.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.674 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -67.47 -37.05 82.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HE2' ' HE1' ' A' ' 54' ' ' TYR . 40.0 mmtt -46.54 -34.63 5.04 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.473 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.6 tp10 -73.96 -38.72 64.11 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.412 0.625 . . . . 0.0 110.459 -176.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.2 mm? -56.98 -36.38 70.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.287 172.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.469 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 53.2 mtt -55.55 -33.0 63.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.522 0.677 . . . . 0.0 110.428 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 58.5 mttt -72.5 -14.32 61.63 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.1 m-30 -81.78 -17.06 48.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.111 0.957 . . . . 0.0 109.041 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 65' ' ' ILE . 11.9 t70 -69.85 -42.18 73.88 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.182 -1.372 . . . . 0.0 107.617 172.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.792 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.2 t70 -75.67 -41.41 53.99 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 112.536 -2.12 . . . . 0.0 110.612 -174.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -60.28 -33.85 55.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.686 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.23 -42.73 62.25 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.975 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.1 mt -58.09 -35.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.491 0.663 . . . . 0.0 110.421 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -67.88 -43.85 78.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.764 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -88.11 -68.4 0.76 Allowed 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.206 -168.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -71.24 -34.4 70.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.55 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.26 138.03 10.11 Favored Glycine 0 N--CA 1.435 -1.431 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.379 175.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.64 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -59.24 -42.94 88.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.749 -0.725 . . . . 0.0 110.477 -174.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 19.7 t70 -56.9 -52.11 66.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.015 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -64.36 -43.07 95.67 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.222 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 104' ' ' ILE . 34.3 mt -57.0 -47.92 82.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.653 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.15 -45.66 72.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.99 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 45.5 mt-10 -70.06 -35.78 74.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.729 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.705 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -71.05 -53.17 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.689 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.697 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.65 -52.75 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.545 0.688 . . . . 0.0 111.328 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 77' ' ' VAL . 26.7 mt-10 -61.35 -34.57 75.51 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.495 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.82 76.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.707 0.289 . . . . 0.0 110.743 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.705 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.4 mmt -46.08 -34.14 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.018 173.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.601 ' HB3' HG21 ' A' ' 117' ' ' ILE . 15.8 m . . . . . 0 N--CA 1.439 -0.984 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.024 -171.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.9 tt0 . . . . . 0 N--CA 1.465 0.29 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.98 -37.75 74.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.953 0.406 . . . . 0.0 111.246 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.2 t -80.89 -30.22 35.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 101' ' ' THR . 77.6 mt -60.26 -46.51 89.55 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.312 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' PHE . 10.2 m-30 -66.93 -40.62 87.64 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.94 0.4 . . . . 0.0 111.451 173.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.539 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -36.07 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.411 -175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 98' ' ' LEU . 7.3 t -71.32 -22.15 61.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.939 -175.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.34 -52.86 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.15 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.81 -37.75 93.69 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.458 -175.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 73' ' ' ILE . 6.1 tp -59.43 -41.9 85.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.197 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.736 ' HA ' HD12 ' A' ' 108' ' ' ILE . 54.2 m -72.73 -24.89 61.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.394 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.42 77.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.561 0.22 . . . . 0.0 111.14 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 73' ' ' ILE . 60.8 mttm -69.37 -30.08 68.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.423 0.63 . . . . 0.0 110.722 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 105' ' ' CYS . 60.7 mt -69.73 -50.13 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.281 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG23 ' A' ' 34' ' ' ILE . 8.8 t -63.61 -34.41 77.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.674 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 41' ' ' ILE . 24.4 pt-20 -79.65 -39.01 32.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.41 -35.11 62.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.171 0.51 . . . . 0.0 110.734 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.3 m0 -70.46 -19.83 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -50.28 -58.28 9.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -167.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.412 ' CE2' HG23 ' A' ' 41' ' ' ILE . 45.9 m-85 -54.92 -48.64 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -165.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.569 ' CG ' HG12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -111.23 4.97 19.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.089 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm 56.78 69.49 0.74 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.723 0.773 . . . . 0.0 109.894 -172.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 81' ' ' SER . 11.1 mt . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.82 -172.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.572 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.5 ppp? . . . . . 0 CA--C 1.518 -0.26 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.661 ' O ' HD12 ' A' ' 137' ' ' ILE . 15.5 p -126.83 158.61 36.21 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.843 -167.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 137' ' ' ILE . 7.3 t70 -48.42 -32.88 8.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.191 168.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.47 -27.15 63.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.572 0.701 . . . . 0.0 109.408 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 139' ' ' ILE . 12.6 t-20 -79.56 -30.81 41.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.12 -177.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -59.03 -37.93 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.134 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.502 ' O ' HD13 ' A' ' 142' ' ' LEU . 19.3 m-80 -64.27 -43.35 95.09 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.484 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.5 mt -63.27 -41.32 92.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.84 0.829 . . . . 0.0 109.137 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.803 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.02 -53.85 49.76 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.918 -177.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.598 ' HA ' HD11 ' A' ' 20' ' ' ILE . 20.0 mm -50.18 -43.87 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 176.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -66.92 -49.84 64.27 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.838 -175.451 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.89 -48.21 78.69 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.879 0.847 . . . . 0.0 110.359 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 27.7 mt -64.84 -43.14 94.04 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.078 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 32.5 mt-10 -53.63 -25.93 19.88 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 35.8 mttp -51.75 -38.99 57.7 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.805 172.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.509 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -118.13 -17.58 9.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.376 1.084 . . . . 0.0 109.602 -176.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.734 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.8 179.04 5.73 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.778 175.162 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 123.915 0.759 . . . . 0.0 110.189 -166.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.449 -0.487 0 CA-C-O 120.734 0.302 . . . . 0.0 111.612 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.611 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.88 145.86 9.2 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.96 0.885 . . . . 0.0 113.036 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -101.7 -53.08 3.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.262 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -81.79 -2.29 50.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.388 -175.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.5 p -42.48 -48.69 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 172.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 31.1 t70 -115.54 19.51 15.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.833 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.738 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 21.9 t70 -53.59 -33.94 56.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.874 -173.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.699 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.0 t70 72.7 -27.43 0.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.236 177.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.562 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.6 pttp -115.74 172.51 7.08 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.524 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.699 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 8.2 tp -82.27 139.28 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.403 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 4.8 m -102.67 -169.14 1.62 Allowed 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 121.532 0.682 . . . . 0.0 111.751 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -69.39 161.34 29.6 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.555 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 23' ' ' ARG . 51.7 mtp180 -53.96 -41.75 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.05 0.929 . . . . 0.0 109.342 167.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.26 -4.89 38.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.785 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.2 t -97.99 -21.84 16.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.569 HD13 HD22 ' A' ' 29' ' ' LEU . 28.0 mm -75.62 -11.74 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 122.603 1.192 . . . . 0.0 108.189 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.98 -55.9 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.021 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.4 -33.45 65.0 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.508 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 53' ' ' LEU . 25.7 tp -50.99 -51.46 52.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.668 -2.06 . . . . 0.0 113.221 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.541 HG13 ' HG2' ' A' ' 132' ' ' MET . 7.1 mm -60.84 -34.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.287 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.25 -44.87 71.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.596 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.5 mm-40 -58.25 -51.82 68.17 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.621 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.542 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 69.6 t80 -61.5 -55.26 32.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.059 0.457 . . . . 0.0 110.454 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.17 -24.82 18.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.386 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 57.8 m -81.61 -38.54 25.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.053 -1.029 . . . . 0.0 110.896 170.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.55 ' HD1' ' CE1' ' A' ' 12' ' ' PHE . 71.3 t90 -66.13 -53.48 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.698 ' NH2' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.61 3.68 9.09 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.466 -176.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.698 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 22.5 t-20 -85.75 -47.23 9.95 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.771 165.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.525 ' HA ' HG23 ' A' ' 42' ' ' VAL . 9.8 m170 -55.15 -31.89 61.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.744 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 14.5 t -60.34 -24.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.659 0.742 . . . . 0.0 110.078 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.2 mm -92.15 -64.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.998 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.525 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.79 -48.86 37.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.957 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.9 m-85 -90.38 -8.65 50.13 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.444 -176.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.0 t-20 49.7 53.08 13.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.318 -173.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.601 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 7.4 mtpm? -76.56 -150.12 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.346 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 9.2 m-20 -125.54 135.36 52.17 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.729 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.3 tp -71.47 -29.04 33.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 122.051 0.929 . . . . 0.0 110.757 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.3 p -75.81 -17.13 59.97 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.034 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.574 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 30.6 t -84.25 82.99 8.13 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.076 -1.875 . . . . 0.0 110.348 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.0 p -174.16 -166.06 0.26 Allowed 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.206 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -108.24 -164.18 21.09 Favored Glycine 0 N--CA 1.44 -1.084 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.829 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.699 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 51.7 mtt180 -73.85 -45.72 49.32 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.334 0.588 . . . . 0.0 112.102 -173.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 29' ' ' LEU . 5.7 tt -50.65 -42.08 56.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.124 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.4 m-30 -69.45 -31.12 69.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -173.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 60.1 mmtt -58.2 -35.66 71.95 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 123.383 0.427 . . . . 0.0 110.115 -176.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HG3' ' HE2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -72.0 -37.06 69.88 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.018 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -58.82 -38.12 77.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 174.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 44.3 mtt -58.01 -32.37 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.298 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 56.2 mttt -74.68 -13.2 60.59 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.476 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.4 m-30 -77.64 -14.8 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.213 1.006 . . . . 0.0 109.324 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 58' ' ' MET . 16.5 t70 -68.55 -46.35 69.71 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.094 -1.412 . . . . 0.0 108.346 169.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.696 ' HA ' HD12 ' A' ' 65' ' ' ILE . 19.5 t70 -70.32 -42.57 71.77 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 112.063 -2.335 . . . . 0.0 110.361 -173.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -62.52 -34.71 66.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.193 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.53 65.52 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.234 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 62' ' ' ASP . 45.0 mt -59.47 -35.72 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.765 0.793 . . . . 0.0 110.048 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 27.5 tpt180 -65.18 -48.93 71.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.549 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.471 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -79.33 -72.2 0.4 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.769 -170.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.39 -38.34 71.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.742 -175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 110.71 141.12 8.67 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 174.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.527 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -59.46 -45.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.861 -0.669 . . . . 0.0 110.136 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 27.1 t70 -59.57 -51.48 69.65 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.3 OUTLIER -58.53 -46.48 86.69 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.428 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.744 HG12 HD13 ' A' ' 104' ' ' ILE . 45.2 mt -60.18 -46.47 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.779 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -54.36 -48.67 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.409 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.9 mt-10 -64.14 -45.03 90.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.851 0.834 . . . . 0.0 109.749 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.912 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -67.92 -52.5 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.205 0 CA-C-N 113.891 -1.504 . . . . 0.0 112.838 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 1.025 HG23 ' HA ' ' A' ' 108' ' ' ILE . 6.4 p -52.77 -54.22 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.567 0.698 . . . . 0.0 111.904 -175.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 77' ' ' VAL . 49.3 mt-10 -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.308 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.92 -47.87 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 174.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.912 ' HE2' HG23 ' A' ' 76' ' ' ILE . 10.3 mmt -50.5 -24.89 3.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m . . . . . 0 N--CA 1.438 -1.074 0 CA-C-O 121.292 0.568 . . . . 0.0 110.512 -178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 98' ' ' LEU . 58.0 tt0 . . . . . 0 C--O 1.233 0.19 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.4 tt0 -56.34 -42.1 77.16 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 111.162 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.1 t -78.43 -29.15 46.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 95' ' ' GLN . 90.7 mt -61.83 -49.96 74.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.433 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -64.2 -41.22 97.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.104 0.478 . . . . 0.0 110.754 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.37 -31.0 65.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.755 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 99.3 m -66.69 -33.05 74.78 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.079 -178.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -69.77 -52.4 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -67.06 -40.71 93.12 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.773 -0.727 . . . . 0.0 114.132 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 73' ' ' ILE . 6.0 tp -58.51 -43.78 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.652 ' O ' HG22 ' A' ' 109' ' ' THR . 77.2 m -72.43 -25.34 61.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.832 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -68.67 -52.48 30.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 15.0 tptt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.442 0.639 . . . . 0.0 110.274 -170.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.025 ' HA ' HG23 ' A' ' 77' ' ' VAL . 23.7 mt -67.87 -54.82 19.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.884 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 105' ' ' CYS . 0.6 OUTLIER -69.44 -26.18 64.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -174.103 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.1 pt-20 -78.9 -34.09 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.772 -0.58 . . . . 0.0 111.82 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.55 -27.39 57.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.474 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.493 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 47.2 m0 -70.14 -19.51 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.362 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.48 98.93 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 121.314 -0.469 . . . . 0.0 114.059 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.4 m-85 -55.55 -60.21 3.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -110.79 11.39 22.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.895 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 61.91 74.56 0.44 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.829 0.823 . . . . 0.0 110.374 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt . . . . . 0 N--CA 1.446 -0.641 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.999 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.559 ' CE ' HG13 ' A' ' 137' ' ' ILE . 4.4 ppp? . . . . . 0 CA--C 1.515 -0.366 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.7 p -92.76 -176.11 4.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.725 -168.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.731 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -81.91 -37.34 26.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 -175.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.57 -22.42 60.99 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 111.613 -2.539 . . . . 0.0 109.683 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 36.6 t30 -76.96 -26.15 53.63 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mt -58.52 -42.76 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.596 173.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 142' ' ' LEU . 35.4 m-80 -73.85 -38.49 64.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.717 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.93 -40.07 85.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.706 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.36 -52.26 62.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.805 -177.495 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.3 mm -51.22 -45.17 31.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.253 0.549 . . . . 0.0 109.759 175.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.05 -47.58 70.88 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.655 -175.091 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . 0.559 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 62.9 t80 -56.61 -47.74 78.97 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 122.131 0.967 . . . . 0.0 110.402 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.5 mt -68.22 -42.66 79.48 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.251 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.637 ' HG3' HG12 ' A' ' 20' ' ' ILE . 16.4 mt-10 -53.87 -24.8 17.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 123.904 0.752 . . . . 0.0 112.37 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 29.2 mmtp -48.02 -43.03 29.72 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.034 171.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 1.3 mttt -115.97 -11.62 11.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.154 0.978 . . . . 0.0 109.987 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.699 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -96.59 -179.98 4.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.712 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.248 0.996 0 O-C-N 124.197 0.935 . . . . 0.0 110.087 -172.716 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.44 -0.945 0 CA-C-O 120.542 0.21 . . . . 0.0 111.455 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.53 149.13 6.12 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.17 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.0 -53.11 2.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.403 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -70.65 -6.92 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.761 -177.07 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.8 p -45.06 -47.12 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.052 169.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . 0.628 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.0 t70 -116.31 18.74 15.14 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.756 -175.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.2 t0 -53.96 -36.0 62.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.37 -172.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.773 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.7 t70 73.06 -29.41 0.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.424 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.2 ptmt -119.67 170.88 8.8 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.833 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.5 tp -84.64 137.8 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.718 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -115.15 -163.19 0.86 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 121.502 0.668 . . . . 0.0 111.968 -178.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -67.27 159.6 28.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.272 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 137' ' ' ILE . 70.7 mtm180 -55.02 -39.43 69.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.001 0.905 . . . . 0.0 109.449 167.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.34 -8.32 49.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.324 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.9 t -100.82 -11.3 19.95 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.38 -172.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.547 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 18.9 mm -92.05 -9.35 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.62 -54.87 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.597 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 4.4 t70 -71.01 -27.82 63.96 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 113.622 -1.627 . . . . 0.0 108.396 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.642 ' HB2' ' O ' ' A' ' 25' ' ' SER . 22.2 tp -64.09 -49.36 72.55 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 111.955 -2.384 . . . . 0.0 111.861 -171.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 30' ' ' ILE . 2.9 mm -59.75 -28.14 39.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.501 0.667 . . . . 0.0 109.932 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.64 -44.94 40.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.79 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -59.41 -50.35 74.29 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 174.261 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 87.4 t80 -64.58 -58.14 7.16 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -166.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 HG21 ' A' ' 109' ' ' THR . 41.3 mm -51.78 -42.91 33.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.273 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -67.16 -33.85 76.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.75 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.0 t90 -68.32 -43.66 77.1 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.619 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 15.8 mmm180 -52.31 -45.65 65.67 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.5 t-20 -60.67 -49.5 77.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.949 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.1 -37.25 44.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.396 -179.283 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 15.7 t -67.02 -25.44 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.684 0.754 . . . . 0.0 110.75 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' ARG . 20.8 mm -89.02 -62.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.569 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.72 -48.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.02 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.0 m-85 -86.42 -9.16 56.85 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.075 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.7 t-20 48.65 55.81 8.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.067 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 53.9 mtpt -80.73 -143.14 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.186 -1.37 . . . . 0.0 108.758 176.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.47 135.93 42.83 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.344 0.593 . . . . 0.0 110.672 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.455 HD11 ' SD ' ' A' ' 58' ' ' MET . 1.5 tp -74.99 -31.68 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.713 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -74.2 -19.65 60.46 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.274 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -83.87 82.01 8.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 113.014 -1.903 . . . . 0.0 109.81 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.0 p -170.88 -168.76 0.7 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.253 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.628 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -109.92 -173.02 20.51 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.736 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ARG . . . . . 0.773 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 12.4 mtt180 -70.31 -42.09 72.45 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.609 0.719 . . . . 0.0 111.57 -170.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.43 -49.96 60.66 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.982 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.743 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.3 m-30 -60.27 -42.23 94.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 53.5 mmtt -48.28 -39.17 20.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.676 ' HG3' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.58 -34.79 70.23 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.439 -177.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.806 0.336 . . . . 0.0 111.433 172.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.544 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 31.4 mtt -62.8 -45.38 92.9 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 84.4 mttt -48.07 -16.44 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.611 -1.632 . . . . 0.0 113.855 171.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.676 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.0 m-30 -85.23 -18.9 32.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.844 0.83 . . . . 0.0 109.99 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.613 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 38.3 t70 -70.92 -38.38 72.94 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 65' ' ' ILE . 23.5 t70 -74.68 -41.1 60.89 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 112.145 -2.298 . . . . 0.0 109.99 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -64.48 -33.1 60.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.723 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.68 -45.47 58.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.874 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.67 HG23 ' HB ' ' A' ' 70' ' ' ILE . 60.7 mt -55.62 -35.64 39.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 171.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -68.58 -44.11 75.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.626 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.2 OUTLIER -83.74 -69.87 0.61 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.641 -171.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.67 -38.71 73.8 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.836 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.91 138.57 8.37 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.053 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.4 tp -58.37 -44.68 89.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.898 -0.651 . . . . 0.0 109.825 -176.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.71 -51.77 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.498 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -60.73 -45.81 92.84 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.323 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 104' ' ' ILE . 40.2 mt -57.98 -46.8 87.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.803 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -54.04 -48.34 70.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.371 0.605 . . . . 0.0 110.808 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.37 -41.91 98.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.136 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.706 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -73.48 -52.88 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.91 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.966 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.4 p -52.02 -50.83 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.054 0.931 . . . . 0.0 111.869 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 77' ' ' VAL . 43.0 mt-10 -62.67 -34.52 77.27 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.022 -1.444 . . . . 0.0 112.384 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.48 -37.34 84.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.275 174.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' MET . . . . . 0.706 ' HE3' HG23 ' A' ' 76' ' ' ILE . 17.6 mmt -49.52 -14.03 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 172.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p . . . . . 0 N--CA 1.448 -0.53 0 CA-C-O 121.617 0.722 . . . . 0.0 109.543 176.358 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 . . . . . 0 C--O 1.234 0.259 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.85 -42.18 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.876 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 10.1 t -78.89 -31.91 45.63 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.3 -51.77 65.62 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.513 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.5 m-30 -63.12 -40.73 98.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.142 0.496 . . . . 0.0 111.206 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.2 -38.24 73.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.035 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 20.7 m -59.84 -34.14 72.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.587 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.41 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -70.12 -52.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.23 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . 0.613 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.39 -42.46 95.96 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.844 -0.693 . . . . 0.0 114.068 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 73' ' ' ILE . 4.8 tp -56.54 -46.81 82.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 109.964 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HA ' HD12 ' A' ' 108' ' ' ILE . 73.4 m -71.75 -25.25 61.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.32 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.23 -41.23 73.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.069 0.461 . . . . 0.0 110.085 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.36 75.79 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.064 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.966 ' HA ' HG23 ' A' ' 77' ' ' VAL . 37.4 mt -66.35 -52.99 40.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.847 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.727 HG21 HG23 ' A' ' 34' ' ' ILE . 10.9 t -66.03 -31.82 72.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.021 -173.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.619 ' HB3' ' HB3' ' A' ' 37' ' ' ARG . 8.9 pt-20 -75.24 -46.59 32.81 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 122.217 -0.302 . . . . 0.0 111.805 -176.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -53.47 -35.56 60.68 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.981 0.42 . . . . 0.0 111.629 -172.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' TRP . . . . . 0.516 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 51.9 m0 -58.32 -18.92 30.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -69.58 -36.2 76.01 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.212 -0.518 . . . . 0.0 114.084 -168.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CE1' HG23 ' A' ' 41' ' ' ILE . 26.9 m-85 -58.53 -61.7 2.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.406 0.603 . . . . 0.0 111.644 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -111.5 14.99 21.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.9 mttm 64.24 71.83 0.47 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.596 0.56 . . . . 0.0 111.05 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.7 mt . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 -174.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' MET . . . . . 0.573 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? . . . . . 0 N--CA 1.456 -0.172 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 137' ' ' ILE . 18.0 p -132.81 154.71 50.03 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.272 -170.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ASP . . . . . 0.958 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.8 OUTLIER -50.88 -27.66 7.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 170.488 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.62 -30.38 65.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.471 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . 0.573 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 12.4 t-20 -78.14 -28.89 48.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -176.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -58.06 -37.4 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.821 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 142' ' ' LEU . 26.3 m-80 -62.24 -44.91 95.49 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.487 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.92 -42.05 93.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.718 0.771 . . . . 0.0 108.955 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.6 -53.85 48.45 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.397 -176.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.618 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.2 mm -50.95 -44.92 28.18 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-O 121.274 0.559 . . . . 0.0 109.808 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -66.34 -48.65 69.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.864 -176.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -56.4 -46.67 80.05 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 122.052 0.929 . . . . 0.0 110.438 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' LEU . . . . . 0.75 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 50.7 mt -67.68 -43.41 80.22 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.36 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 20' ' ' ILE . 14.6 mt-10 -52.55 -23.96 7.31 Favored 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 124.063 0.852 . . . . 0.0 112.795 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' LYS . . . . . 0.613 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 72.5 mmtt -48.5 -39.39 23.0 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.021 172.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' LYS . . . . . 0.613 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -119.47 -29.3 5.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 122.448 1.118 . . . . 0.0 109.789 178.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' LEU . . . . . 0.756 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.45 177.33 6.04 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 113.109 -1.86 . . . . 0.0 109.69 172.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 20' ' ' ILE . 51.7 t30 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.02 -173.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 mpt? . . . . . 0 N--CA 1.481 1.104 0 CA-C-O 120.957 0.408 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.12 117.11 4.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.46 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 42.1 m -101.58 94.5 5.91 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.088 0.471 . . . . 0.0 109.819 178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.538 ' HE2' ' OD1' ' A' ' 44' ' ' ASN . 17.7 ttpp -165.5 126.71 1.94 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.197 -176.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.6 tp -64.16 141.23 58.84 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.088 -0.505 . . . . 0.0 109.667 175.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -78.74 92.43 4.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.905 0.859 . . . . 0.0 109.354 174.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.691 ' HB2' ' HB3' ' A' ' 43' ' ' PHE . 96.2 m-85 -75.02 153.86 38.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.777 -177.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 1.018 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 37.3 mt-10 -134.44 -71.42 0.49 Allowed 'General case' 0 CA--C 1.501 -0.913 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.025 178.515 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 48.93 37.44 10.17 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 109.34 -171.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -57.58 83.52 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.615 0 CA-C-N 113.759 -1.564 . . . . 0.0 112.721 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.449 HG12 ' H ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -69.56 -42.85 80.79 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.112 0 CA-C-N 111.888 -2.415 . . . . 0.0 111.348 176.028 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.825 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.38 142.03 18.27 Favored 'General case' 0 N--CA 1.434 -1.245 0 CA-C-O 121.837 0.827 . . . . 0.0 112.612 177.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 42.5 t80 -104.03 -47.3 4.21 Favored 'General case' 0 C--N 1.316 -0.854 0 CA-C-N 114.293 -1.321 . . . . 0.0 110.421 -176.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.632 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -83.58 -4.91 58.97 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.166 -176.147 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.669 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -42.37 -49.08 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.376 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.917 172.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.508 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 38.1 t70 -115.27 20.01 15.18 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 123.861 0.865 . . . . 0.0 110.602 -175.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.632 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 9.4 t0 -49.84 -41.03 44.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.793 -175.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.608 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 9.9 t70 78.06 -22.61 0.28 Allowed 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 114.716 -1.129 . . . . 0.0 111.89 176.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HG2' ' OD1' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -132.29 170.91 14.39 Favored 'General case' 0 N--CA 1.425 -1.706 0 CA-C-O 121.068 0.461 . . . . 0.0 111.216 -178.191 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.7 tp -75.08 139.26 19.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.584 -174.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.3 m -106.64 -168.47 1.42 Allowed 'General case' 0 N--CA 1.424 -1.743 0 CA-C-O 121.492 0.663 . . . . 0.0 111.809 -176.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.8 t -74.27 163.71 27.48 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.235 176.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.469 ' O ' HG21 ' A' ' 137' ' ' ILE . 40.9 mtp180 -52.82 -42.99 65.64 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.834 0.826 . . . . 0.0 109.56 167.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.409 ' HA ' HG13 ' A' ' 27' ' ' ILE . 25.2 t70 -71.59 -7.53 48.33 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.132 -174.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.524 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 14.9 t -96.31 -26.47 15.37 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.397 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.555 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 19.7 mm -80.72 -8.89 11.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 122.538 1.161 . . . . 0.0 108.058 178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 23' ' ' ARG . 44.7 mm -69.56 -56.0 13.15 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.232 0 CA-C-N 113.154 -1.839 . . . . 0.0 109.621 176.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -74.07 -31.28 62.78 Favored 'General case' 0 CA--C 1.5 -0.946 0 CA-C-N 114.535 -1.212 . . . . 0.0 108.946 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 53' ' ' LEU . 30.0 tp -50.29 -49.67 52.76 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 112.91 -1.95 . . . . 0.0 112.854 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.503 HD13 ' HA ' ' A' ' 30' ' ' ILE . 6.8 mm -60.2 -35.57 62.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.378 -178.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -67.5 -47.59 69.53 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 108.817 -0.808 . . . . 0.0 108.817 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.825 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.8 OUTLIER -58.51 -50.61 73.13 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.623 177.567 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 66.2 t80 -64.97 -55.4 19.3 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 120.746 0.308 . . . . 0.0 111.632 -174.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 31.4 mm -53.68 -33.68 23.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.909 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.457 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 44.6 m -77.72 -35.32 52.14 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.961 0.41 . . . . 0.0 110.894 175.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.659 ' O ' HG23 ' A' ' 40' ' ' VAL . 80.6 t90 -67.28 -40.47 86.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.136 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.752 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.85 -29.97 30.99 Favored 'General case' 0 CA--C 1.516 -0.349 0 CA-C-O 121.493 0.663 . . . . 0.0 109.682 172.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' O ' ' A' ' 35' ' ' THR . 29.0 t-20 -81.88 -46.3 14.29 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 115.111 -0.95 . . . . 0.0 109.103 -177.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.573 ' HA ' HG23 ' A' ' 42' ' ' VAL . 7.0 m170 -55.45 -34.98 64.97 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.711 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 13.5 t -61.19 -21.27 24.31 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.326 0 CA-C-O 121.779 0.8 . . . . 0.0 110.155 178.477 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 110' ' ' GLU . 19.1 mm -99.04 -62.82 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.434 -1.23 0 CA-C-N 114.834 -1.075 . . . . 0.0 112.899 -177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.573 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -52.93 -52.36 29.35 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.947 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.985 -179.751 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.691 ' HB3' ' HB2' ' A' ' 7' ' ' TYR . 1.4 m-85 -87.28 -11.23 50.2 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.699 -1.137 . . . . 0.0 109.172 -178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.711 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.4 t-20 49.13 57.05 6.88 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 113.391 -1.731 . . . . 0.0 110.608 -172.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.018 ' HE2' ' HA ' ' A' ' 8' ' ' GLU . 6.6 mtpm? -74.22 -135.9 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 114.819 -1.082 . . . . 0.0 109.65 175.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.516 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 3.3 t70 -135.3 151.12 50.24 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.702 177.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.423 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.6 tp -78.81 -29.89 14.53 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.031 0 CA-C-N 115.032 -0.986 . . . . 0.0 110.151 174.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -81.53 -16.08 52.86 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-N 114.95 -1.023 . . . . 0.0 108.561 -178.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.516 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.7 t -73.03 82.2 1.24 Allowed 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 113.467 -1.697 . . . . 0.0 110.349 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p 179.82 -170.42 0.14 Allowed 'General case' 0 N--CA 1.436 -1.129 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.885 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.34 -165.27 19.29 Favored Glycine 0 N--CA 1.442 -0.905 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.723 -179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.608 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 42.8 mtt180 -68.78 -47.03 67.22 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 121.594 0.712 . . . . 0.0 111.731 -171.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.63 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.51 -44.06 56.03 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 113.983 -1.462 . . . . 0.0 110.82 -176.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.669 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 1.9 m-30 -68.05 -31.77 71.65 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -174.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HE2' ' O ' ' A' ' 51' ' ' GLY . 60.9 mmtt -60.77 -34.37 74.37 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.937 0.398 . . . . 0.0 109.997 -176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.533 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.84 -37.6 70.26 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.39 -178.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.637 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.58 -36.65 69.6 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-O 121.267 0.556 . . . . 0.0 110.628 173.353 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.653 ' HA ' HH21 ' A' ' 37' ' ' ARG . 44.6 mtt -59.86 -33.59 72.01 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.104 177.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.533 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 58.4 mttt -73.47 -13.23 61.02 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.043 -177.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.616 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -79.21 -13.17 59.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 122.027 0.917 . . . . 0.0 109.597 177.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.752 ' HB2' HH22 ' A' ' 37' ' ' ARG . 6.3 t70 -67.3 -42.05 84.35 Favored 'General case' 0 C--N 1.315 -0.934 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 170.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.725 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.5 t70 -73.51 -42.8 61.32 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.737 -2.029 . . . . 0.0 110.689 -173.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.35 -34.74 62.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.739 -1.573 . . . . 0.0 109.982 178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.36 -41.79 63.01 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.307 -1.315 . . . . 0.0 110.856 174.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.8 mt -57.83 -35.59 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-O 120.893 0.378 . . . . 0.0 110.673 172.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 68.3 ttt180 -71.37 -43.85 66.11 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-O 121.084 0.468 . . . . 0.0 110.467 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.557 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.3 OUTLIER -79.35 -68.82 0.63 Allowed 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.451 -172.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -74.04 -37.4 64.31 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.066 -0.97 . . . . 0.0 109.952 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.57 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 102.97 142.78 12.41 Favored Glycine 0 N--CA 1.431 -1.669 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.767 174.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.419 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -57.06 -43.52 81.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.065 0 O-C-N 124.229 0.605 . . . . 0.0 109.496 -177.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -55.08 -52.78 62.14 Favored 'General case' 0 CA--C 1.512 -0.498 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.403 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.795 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.02 -43.92 86.21 Favored 'General case' 0 CA--C 1.504 -0.799 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.561 -178.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.772 HG12 HD13 ' A' ' 104' ' ' ILE . 38.1 mt -57.61 -46.6 86.38 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.719 178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -54.48 -48.35 71.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.938 176.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -68.78 -37.32 79.24 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.735 -178.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.888 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.1 mp -69.15 -52.96 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.169 0 CA-C-N 115.241 -0.89 . . . . 0.0 111.65 -178.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.511 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.53 -50.97 54.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.642 0.734 . . . . 0.0 111.378 -177.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.452 ' N ' HG13 ' A' ' 77' ' ' VAL . 88.1 mt-10 -58.2 -39.32 78.67 Favored 'General case' 0 C--N 1.306 -1.306 0 CA-C-N 114.252 -1.34 . . . . 0.0 112.203 176.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -57.4 -50.42 73.06 Favored 'General case' 0 C--N 1.316 -0.89 0 CA-C-O 121.05 0.453 . . . . 0.0 110.093 175.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.888 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.0 mmt -48.88 -40.16 28.62 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.723 175.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.618 ' HB2' HG21 ' A' ' 117' ' ' ILE . 53.6 p -76.84 -17.93 58.68 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 120.072 -0.651 . . . . 0.0 111.473 -168.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -96.99 3.46 51.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.753 0.311 . . . . 0.0 110.673 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 72.87 25.92 72.58 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 121.052 -0.594 . . . . 0.0 112.792 177.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -147.13 114.69 6.36 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 48.1 p-80 -135.09 -176.76 4.36 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 122.39 1.09 . . . . 0.0 112.812 -171.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.528 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -149.24 160.88 42.99 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 113.018 -1.901 . . . . 0.0 107.232 175.642 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.462 ' HB ' ' O ' ' A' ' 86' ' ' TYR . 1.7 tp 178.31 148.52 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.248 -0.581 . . . . 0.0 112.01 175.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 17.0 p-10 -102.75 173.12 6.47 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.952 174.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.5 p90 -131.0 145.17 51.96 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.437 0.637 . . . . 0.0 112.046 -174.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 18.4 p -119.62 167.9 11.56 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.093 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.0 tttp -149.22 -80.04 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.374 -0.53 . . . . 0.0 111.448 -177.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.2 m -101.05 37.5 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 121.289 0.566 . . . . 0.0 111.276 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -88.7 -81.6 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.678 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -142.1 143.45 33.06 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 120.892 0.377 . . . . 0.0 111.45 -175.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.547 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.6 tt0 -51.48 -31.35 23.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.801 168.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.529 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.9 tt0 -58.06 -39.41 78.38 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.722 177.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.557 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 20.8 t -77.64 -33.44 53.55 Favored 'General case' 0 N--CA 1.45 -0.465 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.547 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.6 mt -55.42 -51.99 65.06 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-N 116.21 -0.45 . . . . 0.0 109.789 176.378 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.442 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.8 m-30 -65.48 -40.34 92.99 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-O 121.072 0.463 . . . . 0.0 111.362 175.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.33 -33.32 67.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.173 -177.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.454 ' O ' HD11 ' A' ' 131' ' ' LEU . 30.8 m -66.08 -32.29 73.67 Favored 'General case' 0 N--CA 1.44 -0.952 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 -178.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -72.38 -53.65 18.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.5 -0.318 . . . . 0.0 110.449 178.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.421 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.71 -40.2 98.89 Favored Glycine 0 C--N 1.337 0.595 0 C-N-CA 120.8 -0.714 . . . . 0.0 114.049 -175.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.772 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.69 -39.85 80.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 177.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 41.9 t -72.12 -30.1 64.73 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.085 177.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.573 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -71.21 -36.16 71.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.924 0.392 . . . . 0.0 110.516 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 3.6 tmtm? -68.56 -29.49 68.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.558 0.694 . . . . 0.0 109.909 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.511 ' HA ' HG23 ' A' ' 77' ' ' VAL . 39.0 mt -75.6 -48.86 28.74 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.122 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.485 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.6 t -62.0 -37.3 84.33 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.881 -177.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.573 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.8 pt-20 -68.59 -49.61 58.02 Favored 'General case' 0 C--N 1.334 -0.104 0 O-C-N 122.186 -0.321 . . . . 0.0 111.113 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.475 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 41.9 t-80 -52.18 -34.41 45.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.608 -173.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.524 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 50.5 m0 -72.31 -21.73 61.29 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -175.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.481 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -55.47 -43.38 85.3 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 114.465 0.546 . . . . 0.0 114.465 -168.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.421 ' N ' HG22 ' A' ' 41' ' ' ILE . 12.2 m-30 -50.3 -54.84 18.5 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-N 117.37 0.585 . . . . 0.0 112.262 -170.094 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.579 ' CG ' HG12 ' A' ' 117' ' ' ILE . 3.1 ptpp? -111.44 9.56 21.39 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.684 -0.406 . . . . 0.0 111.15 178.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 62.9 mttp 58.55 63.37 1.71 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 121.612 0.72 . . . . 0.0 109.47 -170.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.618 HG21 ' HB2' ' A' ' 81' ' ' SER . 18.3 mt -71.48 149.03 9.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 114.913 -1.04 . . . . 0.0 111.202 -175.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.513 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 23.2 t 167.74 -35.33 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.337 1.023 . . . . 0.0 108.293 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 69.53 -50.93 0.62 Allowed 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.628 -1.169 . . . . 0.0 110.536 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.6 m -83.85 107.91 16.54 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 170.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.4 mmt180 -71.09 -31.78 68.22 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.242 0.544 . . . . 0.0 110.213 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -88.99 136.33 33.07 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.366 176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 64.48 44.15 4.21 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.289 0.566 . . . . 0.0 110.479 -175.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 23.0 t -82.51 -7.26 59.64 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.011 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -147.62 -179.95 7.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.62 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.14 -97.71 0.12 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.069 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -84.08 92.2 7.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.96 0.409 . . . . 0.0 110.969 -178.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.685 HG13 ' H ' ' A' ' 129' ' ' THR . 10.7 pt -112.85 -59.9 3.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.106 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.685 ' H ' HG13 ' A' ' 128' ' ' ILE . 2.7 p -75.67 -30.22 59.31 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.339 0.59 . . . . 0.0 110.144 173.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -78.55 -1.03 32.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.273 -178.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.454 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.21 -11.67 59.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.661 0.743 . . . . 0.0 109.781 178.727 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.76 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -136.15 179.11 6.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.115 -0.948 . . . . 0.0 108.89 177.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.601 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.1 p -130.48 156.05 45.43 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.39 -170.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.898 ' HA ' HD13 ' A' ' 137' ' ' ILE . 18.2 t70 -49.49 -29.87 7.36 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.297 0.57 . . . . 0.0 111.108 168.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.443 ' O ' HD12 ' A' ' 139' ' ' ILE . 10.7 t70 -70.77 -28.58 64.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.579 0.705 . . . . 0.0 109.324 178.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.76 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.4 t-20 -78.92 -31.39 45.21 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.881 -1.155 . . . . 0.0 107.881 -177.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.898 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.78 -40.48 76.07 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.462 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.932 178.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.554 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.5 m-80 -63.82 -43.38 96.4 Favored 'General case' 0 N--CA 1.438 -1.068 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.488 179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.7 mt -63.27 -42.0 94.83 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.896 0 CA-C-O 121.811 0.815 . . . . 0.0 109.409 178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.625 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.21 -51.91 65.88 Favored 'General case' 0 N--CA 1.426 -1.627 0 CA-C-N 114.358 -1.292 . . . . 0.0 110.886 -177.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.597 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.2 mm -51.69 -43.89 34.27 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.47 0 CA-C-O 121.418 0.627 . . . . 0.0 109.725 175.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.5 -48.46 69.73 Favored 'General case' 0 C--N 1.309 -1.178 0 CA-C-N 114.725 -1.125 . . . . 0.0 111.683 -174.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -56.78 -47.14 80.82 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 121.948 0.88 . . . . 0.0 110.615 178.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.818 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 36.1 mt -66.95 -43.2 83.79 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 114.072 -1.422 . . . . 0.0 110.58 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.529 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.3 mt-10 -53.1 -25.15 12.0 Favored 'General case' 0 CA--C 1.509 -0.624 0 O-C-N 124.145 0.903 . . . . 0.0 112.375 -176.409 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.518 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 11.5 mmmm -47.72 -39.26 17.14 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.816 172.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.518 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -121.6 -20.76 6.42 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 122.113 0.958 . . . . 0.0 110.376 177.363 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.818 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -79.83 178.49 8.16 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 113.734 -1.575 . . . . 0.0 111.706 178.39 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.0 t30 . . . . . 0 C--O 1.247 0.97 0 CA-C-N 114.562 -1.199 . . . . 0.0 110.179 -166.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.48 1.055 0 N-CA-C 110.013 -0.366 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.48 86.59 2.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.201 0.524 . . . . 0.0 110.735 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.2 t -117.19 16.03 14.92 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.992 0.901 . . . . 0.0 109.105 177.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -117.77 119.23 34.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.024 -0.989 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.633 HD23 ' H ' ' A' ' 5' ' ' LEU . 1.3 pt? -109.11 100.73 9.85 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.346 0.593 . . . . 0.0 110.465 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' ' HE2' ' A' ' 45' ' ' LYS . 5.2 m-20 -69.89 -23.28 63.22 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.109 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.811 ' HB2' ' HB2' ' A' ' 10' ' ' ALA . 13.4 p90 -86.94 75.18 9.6 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.353 0.597 . . . . 0.0 111.027 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.438 ' C ' ' H ' ' A' ' 10' ' ' ALA . 15.4 mt-10 -85.38 -60.08 2.13 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-O 121.714 0.768 . . . . 0.0 110.443 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.0 OUTLIER -81.31 27.17 0.43 Allowed 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 114.7 -1.136 . . . . 0.0 110.334 175.654 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.811 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -64.24 74.15 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 123.008 1.385 . . . . 0.0 111.564 171.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 ' H ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -64.51 -44.47 96.92 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.205 0 CA-C-N 112.146 -2.297 . . . . 0.0 111.496 178.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.885 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.04 138.03 31.75 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 113.086 0.772 . . . . 0.0 113.086 178.15 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -106.22 -45.46 4.3 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 114.912 -1.04 . . . . 0.0 110.052 177.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.852 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -74.33 -6.93 50.92 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.167 -178.377 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.689 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.2 p -41.72 -47.28 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.066 171.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.543 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.9 t70 -116.34 18.87 15.08 Favored 'General case' 0 C--N 1.317 -0.807 0 CA-C-N 115.237 -0.892 . . . . 0.0 110.847 -177.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.852 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.7 t0 -51.88 -39.28 58.75 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.379 0.609 . . . . 0.0 111.16 -175.39 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.811 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 19.1 t70 72.62 -24.04 0.2 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.648 175.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.1 pttp -115.99 171.86 7.52 Favored 'General case' 0 N--CA 1.425 -1.711 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.407 -175.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.746 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.3 tp -88.42 136.18 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.15 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.442 176.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.83 -163.7 0.88 Allowed 'General case' 0 N--CA 1.436 -1.127 0 CA-C-O 121.508 0.67 . . . . 0.0 112.068 -176.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.8 t -64.2 159.54 20.46 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.785 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 HH11 ' HD2' ' A' ' 23' ' ' ARG . 44.5 mtt85 -51.66 -43.26 62.62 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.907 0.86 . . . . 0.0 109.359 167.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' HA ' ' CG1' ' A' ' 27' ' ' ILE . 17.5 t70 -76.43 -0.39 22.67 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.75 -1.114 . . . . 0.0 110.975 -172.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.554 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 6.4 t -94.14 -26.53 16.67 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.182 -177.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.548 HD13 HD22 ' A' ' 29' ' ' LEU . 25.4 mm -76.55 -13.11 14.54 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.33 0 CA-C-O 122.589 1.185 . . . . 0.0 108.172 177.594 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.496 ' CG1' ' HA ' ' A' ' 24' ' ' ASP . 45.9 mm -68.75 -56.38 12.39 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.076 -1.875 . . . . 0.0 109.915 178.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -73.85 -31.89 63.4 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 114.339 -1.3 . . . . 0.0 108.637 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 53' ' ' LEU . 32.7 tp -50.29 -49.91 52.08 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 112.324 -2.216 . . . . 0.0 113.226 -176.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.51 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.87 -33.91 46.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.867 -177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -68.57 -48.41 64.29 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.885 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -58.31 -50.76 72.48 Favored 'General case' 0 C--O 1.225 -0.206 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.826 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.463 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 72.5 t80 -62.96 -56.18 19.36 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.952 0.406 . . . . 0.0 111.589 -175.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.52 HG23 HG21 ' A' ' 109' ' ' THR . 43.1 mm -56.37 -31.71 33.78 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.106 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 28.2 m -77.73 -36.37 50.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.828 174.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.611 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.7 t90 -66.97 -41.21 87.23 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.079 -178.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.445 HH21 ' CD ' ' A' ' 110' ' ' GLU . 33.3 mmm-85 -54.26 -27.17 33.18 Favored 'General case' 0 C--N 1.329 -0.325 0 O-C-N 123.616 0.572 . . . . 0.0 109.821 174.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.492 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 25.9 t-20 -81.43 -45.44 16.05 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.806 -177.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.471 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 16.3 m170 -59.96 -34.62 73.52 Favored 'General case' 0 C--O 1.233 0.227 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.64 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 12.2 t -61.28 -23.04 29.05 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.382 0 CA-C-O 121.647 0.737 . . . . 0.0 110.439 178.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.594 HG13 ' HB2' ' A' ' 110' ' ' GLU . 25.7 mm -91.17 -64.25 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.31 -1.147 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.926 -175.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.447 ' HB ' ' HD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -49.08 -48.27 17.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.581 -178.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.4 m-85 -92.67 -14.69 27.73 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 114.567 -1.197 . . . . 0.0 110.196 -175.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.64 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 17.0 t-20 53.43 58.15 5.49 Favored 'General case' 0 N--CA 1.439 -0.983 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.831 -166.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.622 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 99.5 mttt -72.41 -132.67 0.01 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.485 175.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.654 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 3.4 t0 -135.16 143.05 46.27 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-O 121.295 0.569 . . . . 0.0 110.654 177.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -83.8 -27.2 7.4 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 CA-C-N 114.589 -1.187 . . . . 0.0 109.861 172.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 21.6 p -81.52 -19.26 42.55 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 114.793 -1.094 . . . . 0.0 108.108 -176.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.654 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.3 t -80.5 81.4 6.76 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 113.675 -1.602 . . . . 0.0 110.087 -179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 24.9 p -171.69 -168.73 0.62 Allowed 'General case' 0 N--CA 1.433 -1.294 0 CA-C-N 115.048 -0.978 . . . . 0.0 108.814 177.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.543 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.34 -165.86 18.36 Favored Glycine 0 N--CA 1.44 -1.097 0 CA-C-N 115.584 -0.735 . . . . 0.0 112.045 -178.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.811 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mmt180 -71.64 -43.5 66.01 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 121.243 0.544 . . . . 0.0 112.026 -172.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.566 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.98 -44.25 63.95 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.633 -1.167 . . . . 0.0 110.229 -178.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.689 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-30 -70.83 -32.58 69.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -173.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.474 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 67.6 mmtt -61.68 -35.01 76.76 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.515 0.674 . . . . 0.0 109.868 -176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.9 tp10 -72.76 -37.34 67.7 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.306 -176.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.586 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -57.18 -39.0 74.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.648 172.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.606 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 49.3 mtt -57.71 -34.34 69.36 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.779 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 58.7 mttt -69.39 -14.41 62.89 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.025 -179.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.599 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.3 m-30 -76.47 -13.54 60.1 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.804 0.811 . . . . 0.0 109.72 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.616 ' O ' HG13 ' A' ' 65' ' ' ILE . 6.7 t70 -69.24 -39.92 78.22 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 107.582 -1.266 . . . . 0.0 107.582 171.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.76 ' HA ' HD12 ' A' ' 65' ' ' ILE . 12.1 t70 -73.94 -42.92 59.84 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 112.761 -2.018 . . . . 0.0 110.363 -173.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.599 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.78 -35.19 66.22 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 CA-C-N 113.705 -1.589 . . . . 0.0 109.807 179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.67 -42.56 64.18 Favored 'General case' 0 C--N 1.314 -0.952 0 CA-C-N 114.234 -1.348 . . . . 0.0 110.915 174.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.76 HD12 ' HA ' ' A' ' 62' ' ' ASP . 66.6 mt -55.69 -37.82 48.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.074 0.464 . . . . 0.0 110.682 173.111 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 53.5 ttt180 -69.78 -45.96 66.85 Favored 'General case' 0 N--CA 1.441 -0.909 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.242 176.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.463 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -75.95 -72.04 0.34 Allowed 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.907 -173.629 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.424 ' CE2' ' HB1' ' A' ' 100' ' ' ALA . 22.8 m-85 -72.82 -32.97 65.89 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 115.118 -0.946 . . . . 0.0 110.427 -175.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.518 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 102.7 139.29 10.39 Favored Glycine 0 N--CA 1.432 -1.588 0 CA-C-N 115.479 -0.782 . . . . 0.0 112.435 175.268 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.523 ' HB ' HG23 ' A' ' 65' ' ' ILE . 9.1 tp -59.18 -44.53 92.05 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.046 0 CA-C-N 114.698 -0.751 . . . . 0.0 110.178 -175.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -55.22 -53.74 52.17 Favored 'General case' 0 CA--C 1.508 -0.65 0 CA-C-O 121.288 0.566 . . . . 0.0 111.266 178.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.816 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -66.63 -41.25 88.59 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.61 -176.471 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.714 HG12 HD13 ' A' ' 104' ' ' ILE . 18.3 mt -58.11 -48.77 83.59 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.229 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.551 176.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.476 HD21 HG13 ' A' ' 70' ' ' ILE . 95.6 m-20 -57.02 -44.21 82.61 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.348 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -72.1 -38.8 69.26 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.54 179.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.896 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -66.26 -52.58 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.104 0 CA-C-N 115.505 -0.77 . . . . 0.0 111.814 -178.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.779 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.1 p -53.51 -50.19 50.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 122.032 0.92 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.456 ' N ' HG13 ' A' ' 77' ' ' VAL . 30.9 mt-10 -60.9 -38.46 85.81 Favored 'General case' 0 C--N 1.306 -1.322 0 CA-C-N 114.209 -1.359 . . . . 0.0 112.281 176.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.76 -47.33 86.81 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.621 0.248 . . . . 0.0 110.91 175.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.896 ' HE3' HG23 ' A' ' 76' ' ' ILE . 13.0 mmt -46.39 -30.59 2.19 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.893 171.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.796 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m -82.58 -9.23 59.49 Favored 'General case' 0 N--CA 1.44 -0.94 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.014 -172.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -97.56 -3.47 39.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.058 0.456 . . . . 0.0 110.896 -179.695 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.87 49.73 52.57 Favored Glycine 0 N--CA 1.451 -0.335 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.7 178.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -154.61 -79.31 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.636 ' ND1' ' HA ' ' A' ' 80' ' ' MET . 19.3 p-80 45.01 -162.52 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 168.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.634 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -165.68 151.45 9.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 113.509 -1.678 . . . . 0.0 108.289 -179.27 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 87' ' ' ILE . 4.0 mm -151.59 133.48 5.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.142 0.496 . . . . 0.0 111.316 177.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -100.23 132.1 45.8 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.257 173.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -100.16 156.23 17.31 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.822 0.344 . . . . 0.0 111.457 -173.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 63.4 p -109.06 151.57 26.2 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 175.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.4 tttm -148.65 -73.12 0.19 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.238 0.542 . . . . 0.0 110.211 -178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 28.4 m -91.28 39.43 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.543 178.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.418 ' HB3' ' H ' ' A' ' 94' ' ' ASP . 79.4 m80 -106.15 -156.64 0.58 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.501 -173.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.418 ' H ' ' HB3' ' A' ' 93' ' ' HIS . 9.5 m-20 -99.31 156.69 16.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.363 -173.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -48.95 -41.68 34.85 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 123.083 0.24 . . . . 0.0 111.59 174.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.463 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 33.2 tt0 -57.55 -38.75 75.27 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.108 0.48 . . . . 0.0 110.57 178.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.16 -37.82 57.45 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.642 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.456 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.9 mm? -61.26 -48.82 79.68 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.223 178.034 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.449 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.6 m-30 -63.21 -39.59 95.05 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.362 0.601 . . . . 0.0 110.756 177.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.424 ' HB1' ' CE2' ' A' ' 68' ' ' TYR . . . -57.37 -36.77 71.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.716 -1.129 . . . . 0.0 110.791 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.444 ' O ' HD11 ' A' ' 131' ' ' LEU . 25.5 m -69.69 -29.12 66.46 Favored 'General case' 0 N--CA 1.439 -1.021 0 CA-C-O 120.823 0.344 . . . . 0.0 111.061 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.42 -51.69 27.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 121.048 -0.261 . . . . 0.0 110.429 176.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.65 -39.04 95.18 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 120.64 -0.791 . . . . 0.0 113.765 -176.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.714 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -59.53 -40.28 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 177.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.446 ' HA ' HD12 ' A' ' 108' ' ' ILE . 46.0 t -72.26 -28.1 62.92 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.269 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.87 -37.17 75.98 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-O 120.738 0.304 . . . . 0.0 110.818 -176.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.413 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 78.6 tttt -72.06 -29.08 63.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.407 0.622 . . . . 0.0 110.069 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.779 ' HA ' HG23 ' A' ' 77' ' ' VAL . 52.8 mt -71.64 -51.37 33.01 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.827 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.047 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.52 HG21 HG23 ' A' ' 34' ' ' ILE . 10.0 t -60.27 -32.96 71.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.859 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.594 ' HB2' HG13 ' A' ' 41' ' ' ILE . 23.2 pt-20 -80.07 -39.55 29.48 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -176.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 29.7 t60 -56.11 -29.35 60.52 Favored 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.091 0.472 . . . . 0.0 111.443 -174.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.413 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.5 m0 -71.16 -18.46 62.5 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.791 -0.641 . . . . 0.0 112.682 -177.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -65.92 -43.66 93.29 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.393 -171.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.522 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.7 m-85 -52.98 -63.26 1.2 Allowed 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 pttp -111.37 19.55 18.14 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.537 -0.465 . . . . 0.0 112.155 -177.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mmmt 60.63 76.06 0.38 Allowed 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.214 0.53 . . . . 0.0 110.899 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.796 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.3 mt -102.84 156.42 5.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.687 -174.109 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.541 ' OG ' ' HA ' ' A' ' 81' ' ' SER . 50.9 m 58.13 89.79 0.05 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.092 0.87 . . . . 0.0 112.765 173.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -112.02 23.2 14.02 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.875 0.845 . . . . 0.0 109.102 176.23 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.8 m -74.27 100.75 3.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 114.897 -1.047 . . . . 0.0 110.12 178.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -77.43 79.09 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.374 0.607 . . . . 0.0 110.888 -177.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -145.78 107.48 4.28 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.492 176.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 79.3 mm-40 -92.0 153.54 19.38 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.176 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.413 ' O ' ' HB3' ' A' ' 125' ' ' LEU . 16.0 t -135.4 141.62 45.52 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.413 ' HB3' ' O ' ' A' ' 124' ' ' SER . 52.9 tp 74.54 -48.78 0.66 Allowed 'General case' 0 N--CA 1.468 0.463 0 O-C-N 123.852 0.72 . . . . 0.0 111.072 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 172.31 -123.45 1.01 Allowed Glycine 0 N--CA 1.445 -0.764 0 N-CA-C 111.426 -0.67 . . . . 0.0 111.426 178.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -112.1 177.38 4.66 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 175.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 25.5 pt -58.26 -32.12 43.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 110.94 177.434 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.1 p -68.18 -23.43 64.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.045 178.273 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -82.96 -3.46 57.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.777 0.322 . . . . 0.0 111.56 -176.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -82.62 -4.64 58.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.758 0.79 . . . . 0.0 110.309 -178.392 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -137.03 156.54 48.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.03 -0.986 . . . . 0.0 109.553 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.683 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.3 p -93.47 -177.66 4.48 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.693 -170.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.75 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.7 p-10 -81.46 -31.7 32.89 Favored 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 105.109 -2.182 . . . . 0.0 105.109 -175.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.532 ' O ' HD12 ' A' ' 139' ' ' ILE . 38.1 t70 -74.67 -19.74 60.15 Favored 'General case' 0 N--CA 1.435 -1.197 0 CA-C-N 111.743 -2.481 . . . . 0.0 110.185 -177.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.516 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 24.5 t-20 -75.29 -31.57 60.73 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 105.685 -1.968 . . . . 0.0 105.685 -176.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.75 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.2 mp -58.71 -42.54 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 112.89 -1.959 . . . . 0.0 109.723 175.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.462 ' O ' HD13 ' A' ' 142' ' ' LEU . 37.7 m-80 -67.4 -45.43 76.22 Favored 'General case' 0 N--CA 1.439 -0.99 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.793 178.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.532 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.8 mt -61.17 -39.56 82.86 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 CA-C-N 115.641 -0.709 . . . . 0.0 109.761 179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.619 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.56 -52.37 61.37 Favored 'General case' 0 N--CA 1.431 -1.411 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.92 -178.095 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.628 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.7 mm -50.92 -47.17 30.26 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.356 0 CA-C-O 121.393 0.616 . . . . 0.0 109.471 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -66.45 -49.19 67.5 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.757 -1.11 . . . . 0.0 112.205 -175.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 58.5 t80 -56.51 -47.81 78.54 Favored 'General case' 0 CA--C 1.502 -0.892 0 CA-C-O 122.056 0.931 . . . . 0.0 110.406 179.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.678 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 55.1 mt -67.03 -41.8 85.95 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-N 113.831 -1.531 . . . . 0.0 110.331 -178.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 44.7 mt-10 -52.99 -25.98 13.85 Favored 'General case' 0 CA--C 1.508 -0.671 0 O-C-N 123.932 0.77 . . . . 0.0 112.55 -177.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 31.6 mmmt -50.26 -38.2 39.74 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.639 172.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.463 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.43 -10.47 9.28 Favored 'General case' 0 N--CA 1.446 -0.638 0 CA-C-O 122.351 1.072 . . . . 0.0 109.595 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.746 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -97.36 177.49 5.53 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 113.555 -1.657 . . . . 0.0 110.369 178.093 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 . . . . . 0 C--O 1.251 1.167 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.065 -168.345 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.9 mmt . . . . . 0 N--CA 1.482 1.15 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.03 48.79 1.52 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.145 0.497 . . . . 0.0 110.371 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.5 m -129.46 40.5 3.59 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.192 -173.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -89.85 35.06 0.83 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.625 0.726 . . . . 0.0 110.296 177.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.4 mt -97.53 -9.88 26.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.264 -0.88 . . . . 0.0 109.44 174.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 29.7 m-20 -88.79 141.33 28.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.497 176.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.755 ' HB3' ' HD2' ' A' ' 43' ' ' PHE . 85.2 m-85 -108.31 148.13 30.48 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.845 -174.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -130.67 -73.39 0.55 Allowed 'General case' 0 CA--C 1.505 -0.768 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.188 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.9 OUTLIER 49.58 36.89 11.25 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-N 114.704 -1.135 . . . . 0.0 109.517 -171.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.548 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -76.64 71.6 3.25 Favored 'General case' 0 N--CA 1.437 -1.113 0 CA-C-O 122.884 1.326 . . . . 0.0 111.044 -178.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.468 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -63.77 -43.65 98.02 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.1 0 CA-C-N 111.494 -2.594 . . . . 0.0 111.052 174.843 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.711 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.53 143.57 11.95 Favored 'General case' 0 N--CA 1.438 -1.043 0 CA-C-O 121.746 0.784 . . . . 0.0 112.611 177.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -103.5 -46.89 4.43 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.208 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.91 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.09 -6.56 56.74 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.354 -175.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.657 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -46.66 -45.19 7.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.504 -0.771 . . . . 0.0 111.154 173.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.561 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 6.6 t70 -117.18 16.55 14.91 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 114.756 -1.111 . . . . 0.0 109.945 -173.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.91 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 25.0 t70 -55.79 -34.87 65.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.529 -0.759 . . . . 0.0 112.668 -170.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.733 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 22.3 t70 74.56 -23.99 0.22 Allowed 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 115.19 -0.914 . . . . 0.0 111.763 176.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.526 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.8 pttm -121.83 172.35 8.24 Favored 'General case' 0 N--CA 1.429 -1.495 0 C-N-CA 122.857 0.463 . . . . 0.0 111.239 -176.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.69 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.1 tp -80.96 136.77 22.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.218 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -102.0 -166.89 1.34 Allowed 'General case' 0 N--CA 1.427 -1.589 0 CA-C-O 121.542 0.686 . . . . 0.0 111.55 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' HG12 ' A' ' 26' ' ' ILE . 41.2 t -74.14 162.73 28.67 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.964 175.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' O ' HG21 ' A' ' 137' ' ' ILE . 95.3 mtt180 -54.28 -43.84 71.4 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.647 0.736 . . . . 0.0 109.384 167.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -72.16 -4.53 29.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.652 -1.158 . . . . 0.0 110.365 -174.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.509 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.5 t -99.56 -25.0 14.57 Favored 'General case' 0 N--CA 1.438 -1.064 0 CA-C-N 115.135 -0.938 . . . . 0.0 110.197 -175.184 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.658 ' HB ' HG12 ' A' ' 137' ' ' ILE . 17.9 mm -80.14 -10.23 12.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 122.529 1.157 . . . . 0.0 107.995 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.8 mm -68.68 -54.89 18.14 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.053 0 CA-C-N 112.987 -1.915 . . . . 0.0 109.816 175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.518 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 8.2 m-20 -72.09 -34.49 68.68 Favored 'General case' 0 CA--C 1.499 -0.995 0 CA-C-N 114.378 -1.283 . . . . 0.0 108.223 178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 53' ' ' LEU . 33.0 tp -50.74 -51.28 51.5 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 112.653 -2.067 . . . . 0.0 112.786 -174.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.478 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.6 mm -60.04 -34.93 58.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.462 -178.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 28' ' ' ASP . 16.0 t70 -68.13 -47.85 66.99 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.506 -0.77 . . . . 0.0 109.315 176.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.711 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.8 mm-40 -59.04 -51.62 69.28 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.5 177.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.489 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 84.8 t80 -62.65 -56.62 16.1 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-O 121.04 0.448 . . . . 0.0 111.986 -174.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.552 HG23 HG21 ' A' ' 109' ' ' THR . 30.1 mm -55.03 -32.06 26.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.945 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.519 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 41.4 m -80.08 -34.76 37.81 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.003 0.43 . . . . 0.0 110.889 175.002 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.627 ' O ' HG23 ' A' ' 40' ' ' VAL . 74.5 t90 -66.87 -41.65 86.91 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.657 0.244 . . . . 0.0 111.657 -178.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.493 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 10.9 mmm180 -56.53 -26.75 55.63 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 174.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.4 t-20 -78.01 -47.81 17.62 Favored 'General case' 0 N--CA 1.446 -0.671 0 CA-C-N 115.384 -0.826 . . . . 0.0 108.917 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.73 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 9.2 m170 -52.41 -39.53 61.05 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 112.294 0.479 . . . . 0.0 112.294 179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.663 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.4 t -57.29 -25.05 22.64 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.31 0 CA-C-O 121.811 0.815 . . . . 0.0 110.559 -179.202 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.491 HG23 ' CE1' ' A' ' 114' ' ' TYR . 19.6 mm -94.0 -65.48 1.1 Allowed 'Isoleucine or valine' 0 N--CA 1.433 -1.32 0 CA-C-N 114.776 -1.102 . . . . 0.0 112.559 -175.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.409 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.51 -46.79 36.68 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.957 0 CA-C-N 114.992 -1.003 . . . . 0.0 111.176 -179.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.755 ' HD2' ' HB3' ' A' ' 7' ' ' TYR . 2.2 m-85 -90.19 -10.83 42.97 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 114.015 -1.448 . . . . 0.0 110.27 -175.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.504 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 3.2 t-20 50.9 52.1 15.66 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 114.32 -1.309 . . . . 0.0 110.677 -174.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.73 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 54.2 mtpt -76.46 -137.19 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.789 177.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 2.1 t70 -135.16 145.72 48.05 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 121.077 0.465 . . . . 0.0 110.112 176.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.0 tp -79.54 -28.84 13.12 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 CA-C-N 114.768 -1.105 . . . . 0.0 110.135 174.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.7 p -82.81 -17.11 45.19 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.032 -0.986 . . . . 0.0 108.446 -175.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.527 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 44.3 t -77.61 82.84 4.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 113.654 -1.612 . . . . 0.0 110.485 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.4 p -172.85 -166.24 0.35 Allowed 'General case' 0 N--CA 1.435 -1.182 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.561 179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.561 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -111.36 -165.47 18.28 Favored Glycine 0 N--CA 1.442 -0.921 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.947 -179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.733 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.3 mtt180 -68.5 -48.0 65.53 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.433 0.635 . . . . 0.0 111.701 -172.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.742 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -51.58 -44.74 62.89 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.213 -1.358 . . . . 0.0 110.644 -175.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.657 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.68 -32.18 71.81 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -174.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 54.9 mmtt -62.91 -33.99 76.49 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.36 0.6 . . . . 0.0 109.437 -176.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.683 ' HG2' HD23 ' A' ' 144' ' ' LEU . 14.5 tp10 -72.13 -37.8 69.38 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.464 -176.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.584 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -57.03 -39.03 74.02 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.487 172.93 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.576 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.1 mtt -58.46 -34.37 70.79 Favored 'General case' 0 CA--C 1.511 -0.525 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.808 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 57.1 mttt -69.79 -14.32 62.71 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.516 -0.766 . . . . 0.0 111.687 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.623 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.08 -16.17 58.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.765 0.793 . . . . 0.0 109.496 176.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.61 ' O ' HG13 ' A' ' 65' ' ' ILE . 25.5 t70 -69.76 -42.08 74.33 Favored 'General case' 0 C--N 1.313 -0.983 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 171.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.818 ' HA ' HD12 ' A' ' 65' ' ' ILE . 16.3 t70 -74.09 -41.64 61.36 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 112.191 -2.277 . . . . 0.0 110.316 -173.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -61.68 -35.39 67.12 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.361 0 CA-C-N 113.888 -1.506 . . . . 0.0 109.738 178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.17 -40.03 65.16 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 114.209 -1.36 . . . . 0.0 110.74 175.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 62' ' ' ASP . 63.1 mt -57.99 -39.84 73.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.962 0.41 . . . . 0.0 110.792 172.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 66' ' ' ARG . 40.2 ttp180 -70.87 -42.0 70.65 Favored 'General case' 0 N--CA 1.444 -0.772 0 CA-C-O 121.266 0.555 . . . . 0.0 110.598 177.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.5 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -76.34 -71.63 0.38 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.089 -174.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -71.61 -48.68 46.42 Favored 'General case' 0 C--N 1.311 -1.096 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.846 -176.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.544 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 120.68 138.11 5.48 Favored Glycine 0 N--CA 1.431 -1.698 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 175.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.728 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -57.97 -42.46 82.66 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.297 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -177.299 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.649 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 34.9 t70 -59.42 -49.81 76.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.985 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.551 ' HA ' ' OE1' ' A' ' 75' ' ' GLU . 0.0 OUTLIER -59.55 -45.6 91.32 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.781 178.417 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 104' ' ' ILE . 45.9 mt -59.45 -44.36 92.59 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.178 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.343 178.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.16 -47.74 77.64 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.053 175.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.649 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.1 mt-10 -57.63 -45.05 85.92 Favored 'General case' 0 CA--C 1.51 -0.576 0 CA-C-O 122.298 1.047 . . . . 0.0 109.164 179.212 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.702 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -72.78 -53.46 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.517 0 CA-C-N 113.341 -1.754 . . . . 0.0 112.594 -173.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.601 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -55.17 -52.7 42.28 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.498 0 CA-C-O 121.206 0.527 . . . . 0.0 110.57 -176.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.466 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.2 mt-10 -53.92 -45.35 71.17 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.791 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.448 ' HB1' ' CD2' ' A' ' 85' ' ' HIS . . . -61.01 -37.28 81.98 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.579 177.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.726 ' HG3' HG12 ' A' ' 108' ' ' ILE . 23.1 mmt -48.7 -17.03 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.428 ' N ' ' HZ2' ' A' ' 112' ' ' TRP . 85.7 p -70.65 -19.5 62.8 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.548 0.689 . . . . 0.0 109.746 179.612 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -79.33 -15.08 58.49 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.851 -1.068 . . . . 0.0 109.783 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.58 33.82 63.53 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.562 -176.264 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -140.23 -167.2 2.27 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 110.286 -0.265 . . . . 0.0 110.286 -170.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.448 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 16.8 m-70 66.48 -174.24 0.19 Allowed 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 124.523 1.129 . . . . 0.0 112.065 176.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.602 ' HA ' HD13 ' A' ' 87' ' ' ILE . 0.5 OUTLIER 66.27 166.79 0.21 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 113.883 -1.508 . . . . 0.0 114.253 179.358 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.602 HD13 ' HA ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -147.38 -157.76 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-N 114.007 -1.451 . . . . 0.0 110.981 -160.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.434 ' H ' ' HB ' ' A' ' 87' ' ' ILE . 9.2 m120 -65.46 149.21 50.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.172 0.51 . . . . 0.0 111.659 179.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.6 p90 -86.63 165.07 16.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.359 178.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.7 p -102.56 115.24 30.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.958 0.409 . . . . 0.0 111.631 -176.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -107.01 -66.65 1.0 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.552 0.691 . . . . 0.0 109.886 175.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.43 HG22 ' H ' ' A' ' 92' ' ' VAL . 7.8 m -79.22 49.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 114.943 -1.026 . . . . 0.0 112.251 -176.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 29.0 m-70 -119.56 -84.78 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.501 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.436 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 5.9 t70 -155.65 163.83 39.41 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 174.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.57 ' HA ' HD12 ' A' ' 98' ' ' LEU . 57.8 tt0 -56.78 -38.52 72.63 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.884 176.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.5 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.4 tt0 -61.6 -36.79 81.7 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.915 0.388 . . . . 0.0 110.192 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -39.88 71.06 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.48 176.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 95' ' ' GLN . 89.0 mt -54.23 -53.71 49.83 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.27 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HB3' HG11 ' A' ' 63' ' ' VAL . 13.1 m-30 -65.51 -41.3 93.34 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.967 0.413 . . . . 0.0 111.384 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.421 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.89 -31.46 66.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.429 179.174 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.564 ' O ' HD11 ' A' ' 131' ' ' LEU . 98.1 m -66.91 -36.17 81.64 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.735 -178.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.2 -53.31 18.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.886 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -62.43 -41.27 99.78 Favored Glycine 0 C--N 1.334 0.442 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.255 -173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.788 HD13 HG12 ' A' ' 73' ' ' ILE . 4.6 tp -55.1 -45.8 77.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 120.786 0.327 . . . . 0.0 110.501 178.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.61 ' HA ' HD12 ' A' ' 108' ' ' ILE . 59.1 m -72.72 -24.19 60.95 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.601 177.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.88 -35.62 74.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.85 0.357 . . . . 0.0 110.398 -179.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.567 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.1 OUTLIER -73.71 -29.32 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.72 0.772 . . . . 0.0 110.619 -179.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.726 HG12 ' HG3' ' A' ' 80' ' ' MET . 42.1 mt -69.19 -46.93 76.83 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.584 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.552 HG21 HG23 ' A' ' 34' ' ' ILE . 11.2 t -68.34 -30.81 69.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.98 -177.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.567 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 18.1 pt-20 -78.83 -54.35 6.16 Favored 'General case' 0 CA--C 1.531 0.212 0 N-CA-C 113.17 0.804 . . . . 0.0 113.17 -173.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 37.3 t60 -58.03 -25.89 61.75 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.227 0.537 . . . . 0.0 111.813 -169.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.684 ' CE3' HD12 ' A' ' 117' ' ' ILE . 0.0 OUTLIER -66.32 -16.3 63.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.444 -178.315 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.33 -37.08 94.28 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 121.476 -0.392 . . . . 0.0 112.997 -174.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.491 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -52.65 -54.62 30.76 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 112.049 0.389 . . . . 0.0 112.049 -171.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.428 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.3 ptpt -110.25 3.15 19.73 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 121.003 -0.279 . . . . 0.0 111.161 -177.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm 63.96 81.47 0.2 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.794 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.684 HD12 ' CE3' ' A' ' 112' ' ' TRP . 11.3 mt -101.09 158.29 4.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 114.915 -1.038 . . . . 0.0 110.804 -175.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.415 ' HB3' ' O ' ' A' ' 117' ' ' ILE . 32.2 t 83.83 161.24 0.12 Allowed 'General case' 0 N--CA 1.463 0.175 0 O-C-N 124.081 0.863 . . . . 0.0 111.395 171.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.86 -0.08 55.93 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.613 -178.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.0 t -82.55 82.47 7.94 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 174.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 121' ' ' ARG . 8.5 mmt180 -96.14 39.94 1.14 Allowed 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.159 -178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 65.51 176.72 0.21 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.018 -176.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 58.24 35.83 25.25 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.296 0.569 . . . . 0.0 110.771 -178.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 4.8 p -151.79 152.12 32.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.817 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.5 mt -99.35 146.77 25.92 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.998 0.428 . . . . 0.0 110.695 -177.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.437 ' C ' HD22 ' A' ' 127' ' ' ASN . . . -152.74 -154.21 6.61 Favored Glycine 0 N--CA 1.442 -0.922 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.437 HD22 ' C ' ' A' ' 126' ' ' GLY . 0.9 OUTLIER -114.53 40.02 2.66 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.257 0.551 . . . . 0.0 109.851 175.349 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 28.4 mt -96.31 -76.55 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.325 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 5.5 p -74.91 -28.77 60.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.377 0.608 . . . . 0.0 110.973 176.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -73.66 -1.22 18.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.032 -0.986 . . . . 0.0 111.338 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.564 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -84.74 -9.95 57.71 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.851 -0.613 . . . . 0.0 112.282 -171.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.522 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.2 ppp? -120.11 168.1 11.54 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 177.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.696 ' O ' HD12 ' A' ' 137' ' ' ILE . 12.3 p -131.27 158.65 40.03 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -166.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.733 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.1 t70 -48.98 -33.18 10.48 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.781 0.675 . . . . 0.0 111.373 170.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -67.81 -32.29 72.74 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.681 178.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.522 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.1 t-20 -78.16 -29.94 48.89 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 -175.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.733 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -59.12 -37.99 71.54 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.603 0 CA-C-N 114.055 -1.43 . . . . 0.0 109.975 178.552 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.456 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.7 m-80 -61.77 -45.73 92.62 Favored 'General case' 0 N--CA 1.439 -1.015 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.873 176.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.1 mp -61.85 -42.02 92.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.886 0.85 . . . . 0.0 108.997 179.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.643 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.64 -53.15 55.96 Favored 'General case' 0 N--CA 1.43 -1.46 0 CA-C-N 114.118 -1.401 . . . . 0.0 111.063 -176.274 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.675 ' HA ' HD11 ' A' ' 20' ' ' ILE . 23.5 mm -50.3 -46.13 25.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.304 0 CA-C-O 121.488 0.661 . . . . 0.0 109.605 175.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.456 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -67.1 -49.86 63.51 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 114.811 -1.086 . . . . 0.0 111.901 -175.746 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 68.8 t80 -57.24 -45.33 84.04 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 122.159 0.98 . . . . 0.0 110.783 179.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.725 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 71.6 mt -66.47 -42.97 86.7 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-N 113.826 -1.534 . . . . 0.0 110.363 -179.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 19.7 mt-10 -53.26 -24.6 11.84 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 112.518 -176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.569 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 54.5 mmtt -47.48 -43.75 24.68 Favored 'General case' 0 C--N 1.306 -1.325 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.136 170.375 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.569 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -115.48 -12.03 11.73 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 122.004 0.907 . . . . 0.0 110.008 179.122 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.725 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -98.08 177.56 5.37 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 113.786 -1.552 . . . . 0.0 111.004 -178.445 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 7.4 t30 . . . . . 0 C--O 1.25 1.12 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.679 -171.338 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 121.321 0.581 . . . . 0.0 110.188 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -91.96 62.94 4.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.803 -176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.2 m -63.66 -53.31 53.39 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 173.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -141.55 21.8 2.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.44 -0.8 . . . . 0.0 108.864 168.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.8 mp -109.92 45.82 1.07 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.591 -176.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 3.4 m-20 -74.13 -39.14 63.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.852 0.834 . . . . 0.0 109.502 175.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -105.9 67.37 0.75 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.672 -178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -67.41 -72.48 0.17 Allowed 'General case' 0 CA--C 1.513 -0.455 0 CA-C-O 121.495 0.664 . . . . 0.0 110.779 -175.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -87.92 31.35 0.78 Allowed 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.783 -1.099 . . . . 0.0 110.567 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.99 78.91 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.505 0 CA-C-O 122.887 1.327 . . . . 0.0 111.322 169.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' H ' HG12 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -69.96 -43.09 79.67 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.008 0 CA-C-N 112.059 -2.337 . . . . 0.0 112.255 -178.466 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.628 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -51.2 144.35 9.56 Favored 'General case' 0 N--CA 1.438 -1.059 0 CA-C-O 121.951 0.882 . . . . 0.0 113.155 -179.403 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -100.9 -53.4 3.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.216 -1.356 . . . . 0.0 110.147 178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.993 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -73.84 -4.47 35.04 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.195 -174.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.724 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -49.16 -48.06 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.993 171.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.668 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 5.7 t70 -116.38 19.16 14.91 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.472 -175.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.993 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.4 t0 -52.23 -36.37 52.17 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.253 -0.885 . . . . 0.0 112.358 -170.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.681 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 14.6 t70 73.01 -29.19 0.2 Allowed 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 114.95 -1.023 . . . . 0.0 111.096 178.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.536 ' C ' HD13 ' A' ' 148' ' ' LEU . 26.4 pttm -116.73 170.48 8.56 Favored 'General case' 0 N--CA 1.426 -1.641 0 CA-C-N 115.591 -0.731 . . . . 0.0 111.78 -174.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.711 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -83.43 144.25 10.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.684 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.483 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -117.69 -168.43 1.5 Allowed 'General case' 0 N--CA 1.437 -1.12 0 CA-C-O 121.96 0.886 . . . . 0.0 112.544 -178.36 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 t -65.68 156.44 32.92 Favored 'General case' 0 C--N 1.311 -1.085 0 CA-C-N 113.774 -1.557 . . . . 0.0 111.342 179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.429 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.6 mtm180 -55.75 -36.86 67.77 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 122.344 1.068 . . . . 0.0 109.375 168.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -75.64 -2.56 29.97 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 114.077 -1.419 . . . . 0.0 110.884 -176.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.427 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 7.5 t -105.06 -21.33 13.29 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.115 -174.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.582 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.9 mm -79.47 -5.71 8.51 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.407 0 CA-C-O 122.792 1.282 . . . . 0.0 107.957 178.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.5 mm -73.38 -56.41 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.421 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.009 177.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 4.1 m-20 -72.58 -30.84 64.74 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.618 -1.174 . . . . 0.0 108.523 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD21 HD21 ' A' ' 53' ' ' LEU . 31.2 tp -50.14 -48.97 53.47 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 112.6 -2.091 . . . . 0.0 112.833 -175.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' A' ' 30' ' ' ILE . 5.9 mm -61.25 -34.7 61.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.063 -177.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -70.38 -43.88 69.2 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.651 176.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.628 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.9 mm-40 -59.36 -51.98 67.58 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.596 177.082 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.0 t80 -62.46 -56.07 21.63 Favored 'General case' 0 CA--C 1.509 -0.623 0 CA-C-O 121.109 0.481 . . . . 0.0 111.584 -174.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.804 HG13 HG21 ' A' ' 128' ' ' ILE . 46.6 mm -56.06 -36.23 44.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.338 -0.846 . . . . 0.0 110.991 179.781 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.439 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 88.5 m -73.74 -34.97 64.98 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 121.094 0.473 . . . . 0.0 110.916 175.116 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.579 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.4 t90 -67.57 -38.9 84.76 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 122.264 -0.272 . . . . 0.0 111.476 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.471 HH21 ' CD ' ' A' ' 110' ' ' GLU . 43.7 mmm-85 -58.92 -21.45 57.91 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.282 0.563 . . . . 0.0 109.954 175.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.439 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.2 t-20 -84.58 -44.87 13.12 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.169 177.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.709 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.71 -32.3 29.59 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 179.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.704 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 20.3 t -67.44 -24.22 31.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 122.032 0.92 . . . . 0.0 109.794 -176.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.541 HG21 ' O ' ' A' ' 110' ' ' GLU . 27.2 mm -93.42 -60.21 2.63 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.028 0 CA-C-N 114.239 -1.346 . . . . 0.0 112.506 -174.184 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.412 ' HB ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -52.4 -52.33 26.45 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.137 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.1 m-85 -88.89 -7.7 55.6 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.792 -1.094 . . . . 0.0 110.761 -175.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 54.56 51.14 14.55 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-N 114.913 -1.04 . . . . 0.0 110.308 -174.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 48.2 mtpt -77.16 -142.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.524 177.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.598 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 4.3 t0 -134.53 145.31 48.62 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.633 179.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.4 tp -77.02 -28.73 16.92 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.236 0 CA-C-N 114.916 -1.038 . . . . 0.0 109.988 174.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.0 p -83.33 -16.45 46.09 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 114.803 -1.09 . . . . 0.0 108.287 -177.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.598 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 37.0 t -77.04 82.86 3.55 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 113.952 -1.477 . . . . 0.0 110.233 177.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -173.56 -162.16 0.15 Allowed 'General case' 0 N--CA 1.434 -1.239 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.918 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.668 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -110.62 -166.62 19.19 Favored Glycine 0 N--CA 1.438 -1.231 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.826 -179.348 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.681 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 25.8 mtt180 -75.88 -43.45 45.44 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 121.49 0.662 . . . . 0.0 111.624 -171.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.681 ' HG ' HD13 ' A' ' 144' ' ' LEU . 6.2 tt -51.49 -42.54 61.75 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-N 114.165 -1.379 . . . . 0.0 110.758 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.724 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.2 m-30 -70.03 -32.09 70.05 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -174.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.433 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 60.5 mmtt -60.74 -32.2 71.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.461 0.648 . . . . 0.0 109.771 -177.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -71.62 -42.56 67.51 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.248 -178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.601 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.4 OUTLIER -55.38 -37.86 68.1 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.958 173.232 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.588 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 51.1 mtt -57.21 -33.95 68.03 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.175 178.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.403 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 64.7 mttt -66.4 -18.85 65.6 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.031 178.542 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.631 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.3 m-30 -78.65 -12.96 60.04 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.985 0.898 . . . . 0.0 109.77 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.554 ' O ' HG13 ' A' ' 65' ' ' ILE . 7.2 t70 -63.86 -41.04 97.88 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 107.34 -1.356 . . . . 0.0 107.34 171.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.701 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.6 t70 -78.36 -40.81 35.27 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.319 -2.219 . . . . 0.0 110.673 -171.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.631 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.5 p -61.7 -34.92 64.39 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.188 0 CA-C-N 114.032 -1.44 . . . . 0.0 109.941 179.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.84 -42.22 63.99 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.436 -1.256 . . . . 0.0 111.088 174.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.701 HD12 ' HA ' ' A' ' 62' ' ' ASP . 50.0 mt -58.19 -36.72 58.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 121.059 0.457 . . . . 0.0 110.381 172.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.9 ttt180 -69.7 -45.35 68.44 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.428 176.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.544 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -75.81 -71.94 0.35 Allowed 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.467 -175.732 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -70.45 -41.69 72.48 Favored 'General case' 0 C--N 1.312 -1.061 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.479 -175.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.569 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.15 142.57 10.21 Favored Glycine 0 N--CA 1.429 -1.786 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.876 175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.5 tp -57.62 -44.02 84.54 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.027 0 CA-C-N 115.017 -0.592 . . . . 0.0 109.653 -177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.474 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 11.1 t70 -57.18 -52.58 64.74 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.587 178.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.693 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -63.31 -43.96 96.34 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.767 -179.648 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 104' ' ' ILE . 30.3 mt -58.95 -45.83 91.8 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.601 179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -56.18 -47.19 78.78 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.944 177.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.474 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 73.0 mt-10 -66.38 -40.92 90.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.301 0.572 . . . . 0.0 110.407 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.816 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -67.52 -52.68 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.087 0 CA-C-N 115.119 -0.946 . . . . 0.0 112.139 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.777 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.17 -50.5 45.94 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-O 121.928 0.87 . . . . 0.0 111.138 -178.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' N ' HG13 ' A' ' 77' ' ' VAL . 63.4 mt-10 -55.35 -46.36 76.43 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-N 114.255 -1.339 . . . . 0.0 112.367 175.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.55 -50.91 66.79 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.953 177.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.816 ' HE3' HG23 ' A' ' 76' ' ' ILE . 14.4 mmt -44.07 -33.66 1.53 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.793 174.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.493 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m -81.75 -10.17 59.43 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 -171.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -87.53 -7.9 57.01 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.101 176.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 88.38 15.84 59.77 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.473 -177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -148.15 147.31 29.32 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 -178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.571 ' HD2' ' H ' ' A' ' 87' ' ' ILE . 14.5 p-80 -149.94 175.67 11.46 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.421 0.629 . . . . 0.0 111.788 178.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -138.49 46.25 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.979 -1.01 . . . . 0.0 110.433 178.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.571 ' H ' ' HD2' ' A' ' 85' ' ' HIS . 47.2 mm -88.03 110.81 21.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.709 -174.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -96.76 125.14 41.0 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 170.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -85.35 114.97 22.83 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 111.946 0.35 . . . . 0.0 111.946 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -81.91 71.99 8.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.583 0.706 . . . . 0.0 110.038 171.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -67.51 -69.69 0.3 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 114.853 -1.067 . . . . 0.0 110.823 -174.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 18.8 m -88.66 48.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-N 115.359 -0.837 . . . . 0.0 112.222 -174.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -97.6 -79.8 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.699 -0.4 . . . . 0.0 110.16 176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -147.76 166.88 26.18 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 116.616 -0.266 . . . . 0.0 110.506 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.552 ' HA ' HD12 ' A' ' 98' ' ' LEU . 48.4 tt0 -58.38 -37.89 76.18 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.72 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.544 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 30.3 tt0 -58.55 -34.05 70.59 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.954 0.407 . . . . 0.0 110.527 176.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 21.5 t -79.79 -32.81 40.85 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.521 177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 95' ' ' GLN . 74.5 mt -57.88 -47.84 81.59 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.915 176.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.548 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.2 m-30 -71.25 -39.63 71.5 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.946 0.403 . . . . 0.0 111.73 175.163 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.472 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.43 -33.37 67.83 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.561 -175.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.512 ' O ' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -67.39 -28.35 67.86 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 120.752 0.31 . . . . 0.0 111.163 -178.056 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -72.94 -53.08 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 121.033 -0.267 . . . . 0.0 110.318 179.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -65.34 -39.8 96.1 Favored Glycine 0 C--N 1.335 0.517 0 C-N-CA 120.698 -0.763 . . . . 0.0 113.754 -176.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.79 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.31 -40.72 82.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 177.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 42.8 t -72.62 -26.19 61.58 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.409 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.552 ' O ' ' HG3' ' A' ' 110' ' ' GLU . . . -71.57 -41.5 68.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.965 0.412 . . . . 0.0 110.509 -176.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 18.9 tptt -63.57 -32.04 73.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.569 0.7 . . . . 0.0 110.458 -177.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.777 ' HA ' HG23 ' A' ' 77' ' ' VAL . 41.5 mt -71.48 -49.47 46.75 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 114.744 -1.117 . . . . 0.0 111.853 -176.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.426 HG21 ' O ' ' A' ' 34' ' ' ILE . 9.2 t -62.6 -28.62 70.02 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.42 -175.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.552 ' HG3' ' O ' ' A' ' 106' ' ' ALA . 47.2 mt-10 -65.93 -51.8 55.38 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 111.642 0.238 . . . . 0.0 111.642 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 47.5 t60 -54.51 -31.68 56.6 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.618 -172.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.632 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 54.8 m0 -72.31 -20.14 61.55 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -176.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -64.42 -47.14 87.41 Favored Glycine 0 CA--C 1.522 0.48 0 C-N-CA 121.37 -0.443 . . . . 0.0 114.04 -172.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.497 ' CE1' HG23 ' A' ' 41' ' ' ILE . 14.5 m-85 -53.46 -57.04 12.09 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 117.1 0.45 . . . . 0.0 112.142 -169.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.437 ' HG3' HG12 ' A' ' 117' ' ' ILE . 19.1 ptpt -110.66 6.81 21.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.565 -176.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 112' ' ' TRP . 9.2 mtpm? 61.34 82.94 0.16 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.829 -176.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.493 HG21 ' HB3' ' A' ' 81' ' ' SER . 7.6 mt -101.62 155.44 4.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.602 -176.282 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.6 m 58.77 30.88 20.61 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.278 175.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -79.12 3.04 18.74 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.918 0.389 . . . . 0.0 110.825 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 47.4 m -68.38 -17.15 64.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.416 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -83.38 102.78 12.26 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.211 -0.662 . . . . 0.0 109.211 174.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 60.4 m-85 -86.16 -159.55 0.48 Allowed 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.532 -173.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.429 ' O ' ' HB3' ' A' ' 124' ' ' SER . 15.6 pt20 -69.32 170.79 9.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.047 -178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.429 ' HB3' ' O ' ' A' ' 123' ' ' GLN . 33.4 t 75.95 4.66 3.83 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.9 -176.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 91.6 mt -139.05 131.08 27.92 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.387 177.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.402 ' O ' HD12 ' A' ' 128' ' ' ILE . . . 137.05 30.19 0.28 Allowed Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 120.177 -1.011 . . . . 0.0 112.82 179.031 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -90.8 78.63 6.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.005 0.431 . . . . 0.0 110.844 177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.804 HG21 HG13 ' A' ' 34' ' ' ILE . 4.7 mp -67.22 -20.7 27.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 121.586 0.708 . . . . 0.0 109.338 176.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 17.5 p -54.46 -33.32 59.41 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.004 -0.998 . . . . 0.0 111.636 178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -86.78 -1.61 57.9 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.746 -173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.512 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.54 -24.96 36.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.649 0.738 . . . . 0.0 109.279 176.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.579 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -109.7 160.23 16.48 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.778 -1.101 . . . . 0.0 108.927 176.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.511 ' O ' HD12 ' A' ' 137' ' ' ILE . 8.6 p -90.25 -176.05 4.71 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.719 -169.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.507 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.4 OUTLIER -82.33 -32.59 29.32 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 105.107 -2.182 . . . . 0.0 105.107 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -73.09 -21.12 60.82 Favored 'General case' 0 N--CA 1.434 -1.266 0 CA-C-N 111.615 -2.539 . . . . 0.0 110.2 -176.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.579 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 22.0 t-20 -74.8 -28.75 60.85 Favored 'General case' 0 CA--C 1.514 -0.434 0 N-CA-C 106.362 -1.718 . . . . 0.0 106.362 -172.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.582 HG23 ' HB ' ' A' ' 26' ' ' ILE . 1.4 mp -57.65 -45.26 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.696 0 CA-C-N 113.957 -1.474 . . . . 0.0 109.512 175.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.54 ' O ' HD13 ' A' ' 142' ' ' LEU . 33.3 m-80 -65.88 -42.4 90.36 Favored 'General case' 0 N--CA 1.438 -1.041 0 CA-C-N 114.908 -1.042 . . . . 0.0 111.053 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.07 -40.45 87.48 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.593 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 178.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.79 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -66.3 -50.12 64.75 Favored 'General case' 0 N--CA 1.424 -1.77 0 CA-C-N 114.759 -1.11 . . . . 0.0 110.47 -175.877 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.562 ' HA ' HD11 ' A' ' 20' ' ' ILE . 26.9 mm -50.65 -46.0 27.49 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.453 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 175.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.54 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.9 OUTLIER -65.43 -48.36 73.03 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.778 -1.101 . . . . 0.0 111.963 -177.747 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.453 ' O ' ' HB2' ' A' ' 146' ' ' LYS . 76.3 t80 -56.78 -46.58 81.4 Favored 'General case' 0 CA--C 1.499 -0.999 0 CA-C-O 122.171 0.986 . . . . 0.0 110.146 179.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.79 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.4 mt -69.47 -43.94 72.2 Favored 'General case' 0 C--N 1.303 -1.448 0 CA-C-N 113.701 -1.59 . . . . 0.0 110.313 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 22.2 mt-10 -53.23 -24.84 12.19 Favored 'General case' 0 N--CA 1.472 0.65 0 O-C-N 124.012 0.82 . . . . 0.0 112.496 -177.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.56 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 22.2 mmtt -48.75 -37.45 18.99 Favored 'General case' 0 C--N 1.302 -1.485 0 CA-C-N 114.99 -1.004 . . . . 0.0 111.764 170.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.56 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.9 -11.7 8.91 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 122.074 0.94 . . . . 0.0 110.095 176.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.711 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -100.41 178.5 4.73 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.736 -179.185 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.482 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 18.1 t-20 . . . . . 0 C--O 1.248 1.007 0 C-N-CA 123.497 0.719 . . . . 0.0 110.107 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.91 -0.404 . . . . 0.0 109.91 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.492 ' HB1' ' HG2' ' A' ' 4' ' ' LYS . . . -155.84 -87.05 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.183 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.4 m 56.71 33.04 22.23 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 122.127 0.965 . . . . 0.0 109.815 -175.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.492 ' HG2' ' HB1' ' A' ' 2' ' ' ALA . 22.2 pttp -104.78 -41.33 5.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.749 -177.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.2 tp -86.41 -34.17 20.25 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.13 0.49 . . . . 0.0 109.72 179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -104.86 117.19 33.43 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.074 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.49 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 5.4 t80 -173.9 -90.06 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.064 173.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.709 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 40.8 mt-10 -132.82 -72.1 0.52 Allowed 'General case' 0 CA--C 1.51 -0.562 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -176.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.2 t70 51.88 44.98 28.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 O-C-N 124.293 0.996 . . . . 0.0 108.923 -167.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.475 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -72.77 63.98 0.64 Allowed 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 123.217 1.485 . . . . 0.0 112.228 -178.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -50.98 -49.56 26.94 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 111.595 -2.548 . . . . 0.0 111.313 171.397 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.642 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -54.02 142.58 24.54 Favored 'General case' 0 N--CA 1.444 -0.758 0 N-CA-C 112.712 0.634 . . . . 0.0 112.712 174.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 49.2 t80 -106.49 -46.98 3.88 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.034 176.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.834 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -72.12 -7.78 50.95 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.118 -0.947 . . . . 0.0 110.276 -177.247 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.655 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -45.28 -47.16 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.284 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.15 171.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.605 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 16.8 t70 -116.03 19.27 15.12 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.378 -175.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.834 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.1 t70 -54.36 -34.76 61.82 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.895 -172.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.723 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.3 t70 73.67 -25.4 0.19 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 114.839 -1.073 . . . . 0.0 111.459 175.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.487 ' C ' HD13 ' A' ' 148' ' ' LEU . 14.5 ptmm? -120.7 173.27 7.3 Favored 'General case' 0 N--CA 1.428 -1.573 0 C-N-CA 123.404 0.682 . . . . 0.0 111.07 -177.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.659 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.9 tp -79.08 138.09 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.541 -179.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.3 m -101.1 -168.34 1.55 Allowed 'General case' 0 N--CA 1.424 -1.746 0 CA-C-O 121.767 0.794 . . . . 0.0 111.392 -175.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.591 ' HB3' ' HB2' ' A' ' 25' ' ' SER . 34.7 t -71.77 156.73 39.0 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.494 176.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.501 ' O ' HG21 ' A' ' 137' ' ' ILE . 96.9 mtt180 -58.05 -37.2 73.95 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 122.402 1.096 . . . . 0.0 109.064 169.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -76.04 -3.21 34.56 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 113.828 -1.533 . . . . 0.0 110.408 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.591 ' HB2' ' HB3' ' A' ' 22' ' ' SER . 5.5 t -104.83 -21.5 13.33 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.846 -173.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 23.4 mm -80.46 -5.79 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 122.664 1.221 . . . . 0.0 107.883 177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -72.2 -56.3 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.287 0 CA-C-N 112.884 -1.962 . . . . 0.0 109.83 177.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.497 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 98.9 m-20 -72.96 -31.88 64.85 Favored 'General case' 0 CA--C 1.5 -0.942 0 CA-C-O 122.319 1.057 . . . . 0.0 108.401 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 53' ' ' LEU . 28.6 tp -50.22 -49.52 52.56 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 112.737 -2.029 . . . . 0.0 112.846 -174.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 128' ' ' ILE . 3.8 mm -60.15 -34.5 57.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.8 -178.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.545 ' HA ' HG21 ' A' ' 128' ' ' ILE . 18.3 t70 -70.95 -44.56 65.84 Favored 'General case' 0 C--N 1.32 -0.713 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 176.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.642 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 3.2 mm-40 -59.04 -51.94 67.89 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.777 178.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.563 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 83.5 t80 -60.6 -55.76 29.44 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-O 121.194 0.521 . . . . 0.0 111.186 -176.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 43.3 mm -55.7 -30.8 27.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.903 178.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 96.2 m -76.94 -40.18 47.99 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 173.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.8 t90 -67.12 -39.07 86.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.707 -0.224 . . . . 0.0 111.283 -178.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 25.6 mmm-85 -58.04 -23.72 55.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.182 0.515 . . . . 0.0 109.905 174.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.481 ' HB3' ' O ' ' A' ' 35' ' ' THR . 26.2 t-20 -85.24 -42.78 14.36 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.144 178.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.635 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 3.3 m-70 -54.45 -31.83 56.29 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.614 ' O ' ' HA ' ' A' ' 44' ' ' ASN . 14.1 t -69.0 -18.54 23.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 122.055 0.931 . . . . 0.0 109.567 -177.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.4 mm -96.63 -63.13 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 114.41 -1.268 . . . . 0.0 112.259 -176.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.639 HG12 ' HE2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -52.21 -51.22 32.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 114.964 -1.017 . . . . 0.0 111.232 -178.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -90.42 -7.46 53.09 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 114.466 -1.243 . . . . 0.0 109.61 -177.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.614 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 2.8 t-20 48.13 54.16 10.6 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 114.036 -1.438 . . . . 0.0 110.576 -174.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.709 ' HE3' ' HA ' ' A' ' 8' ' ' GLU . 58.2 mtpt -75.85 -142.03 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 114.521 -1.218 . . . . 0.0 110.025 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.709 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 6.7 m-20 -130.07 133.83 46.96 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.653 -177.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.417 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.7 tp -73.27 -29.5 28.21 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-O 122.043 0.925 . . . . 0.0 110.401 176.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.7 p -76.99 -17.08 59.11 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-N 114.542 -1.208 . . . . 0.0 108.861 -178.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.709 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 40.2 t -84.43 82.89 8.2 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-N 113.13 -1.85 . . . . 0.0 110.357 -176.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 23.9 p -174.74 -169.45 0.42 Allowed 'General case' 0 N--CA 1.43 -1.439 0 CA-C-N 114.534 -1.212 . . . . 0.0 108.683 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.605 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.35 -165.75 22.85 Favored Glycine 0 N--CA 1.436 -1.322 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.863 -177.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.723 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 55.8 mtt180 -73.43 -44.15 58.85 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-O 121.473 0.654 . . . . 0.0 111.429 -172.173 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.55 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -51.36 -44.42 62.07 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 114.124 -1.398 . . . . 0.0 110.599 -178.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.655 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.5 m-85 -69.77 -33.22 72.11 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -176.015 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 66.8 mmtt -59.93 -34.51 73.32 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.184 0.516 . . . . 0.0 109.839 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.443 ' HG2' HD23 ' A' ' 144' ' ' LEU . 0.7 OUTLIER -72.14 -38.88 69.12 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.382 -0.827 . . . . 0.0 110.665 -179.043 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -58.38 -37.82 76.05 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.394 174.14 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.634 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 48.5 mtt -58.84 -34.93 72.13 Favored 'General case' 0 CA--C 1.507 -0.702 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.716 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 60.6 mttt -67.32 -15.61 63.79 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.739 179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.632 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.3 m-30 -78.03 -15.84 58.58 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.913 0.863 . . . . 0.0 109.536 176.359 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.535 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.6 t70 -69.29 -40.1 77.91 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.173 -1.417 . . . . 0.0 107.173 172.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.649 ' HA ' HD12 ' A' ' 65' ' ' ILE . 24.4 t70 -76.03 -40.55 53.19 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 112.426 -2.17 . . . . 0.0 110.335 -173.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.632 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -63.82 -34.32 67.44 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.185 0 CA-C-N 113.752 -1.567 . . . . 0.0 109.773 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.22 -43.69 60.82 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 114.425 -1.261 . . . . 0.0 111.139 174.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.667 HG23 ' HB ' ' A' ' 70' ' ' ILE . 55.0 mt -56.47 -37.78 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.795 0.807 . . . . 0.0 110.162 171.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -69.38 -44.03 72.34 Favored 'General case' 0 N--CA 1.438 -1.071 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.47 178.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.413 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -80.76 -69.35 0.61 Allowed 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.565 -175.012 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.8 m-85 -72.17 -41.65 66.8 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.391 -176.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.592 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.85 138.52 8.37 Favored Glycine 0 N--CA 1.432 -1.611 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.319 175.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.667 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.3 tp -57.15 -43.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.15 0 CA-C-N 114.478 -0.861 . . . . 0.0 110.019 -176.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -54.86 -52.07 63.95 Favored 'General case' 0 CA--C 1.512 -0.494 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.494 177.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.784 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.88 -42.27 94.94 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.531 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 39.1 mt -59.09 -46.63 91.75 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.825 178.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -53.6 -48.18 69.48 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.98 175.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -69.68 -35.22 74.93 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.917 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.571 ' O ' ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -71.53 -52.73 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.726 -178.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.98 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.51 -53.5 15.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 121.508 0.671 . . . . 0.0 111.823 -177.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.469 ' N ' HG13 ' A' ' 77' ' ' VAL . 27.3 mt-10 -58.38 -37.8 76.0 Favored 'General case' 0 C--N 1.305 -1.34 0 CA-C-N 114.465 -1.243 . . . . 0.0 112.465 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -59.08 -51.3 70.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.052 178.2 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.637 ' HE3' HD11 ' A' ' 87' ' ' ILE . 9.5 mmt -47.72 -34.72 8.69 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.253 175.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.589 ' HB3' HG21 ' A' ' 117' ' ' ILE . 17.9 m -73.2 -21.65 60.62 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.915 -173.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -94.62 -5.15 46.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.331 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 77.03 30.5 55.46 Favored Glycine 0 N--CA 1.45 -0.417 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.692 -178.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 26.7 t70 -149.11 132.98 17.04 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.411 ' HB2' HD13 ' A' ' 87' ' ' ILE . 19.1 p80 -154.27 -168.68 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.259 0.552 . . . . 0.0 112.145 -175.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.415 ' HB2' ' H ' ' A' ' 87' ' ' ILE . 0.0 OUTLIER -120.85 -80.88 0.63 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.332 177.839 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.637 HD11 ' HE3' ' A' ' 80' ' ' MET . 1.6 mp 70.41 117.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-O 122.093 0.949 . . . . 0.0 113.516 171.559 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -136.21 114.61 11.71 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.392 -1.277 . . . . 0.0 107.821 168.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -88.37 133.93 33.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.409 0.623 . . . . 0.0 112.431 -169.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.1 p -103.62 86.0 2.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.584 171.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -80.69 -80.46 0.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.747 -0.661 . . . . 0.0 112.099 -170.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 17.4 m -82.51 25.98 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -173.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 73.8 m80 -82.76 -54.88 4.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.243 -177.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -161.81 159.45 27.0 Favored 'General case' 0 CA--C 1.515 -0.402 0 CA-C-O 121.297 0.57 . . . . 0.0 111.058 177.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.546 ' HA ' HD12 ' A' ' 98' ' ' LEU . 50.9 tt0 -60.14 -37.02 78.84 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.054 177.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.413 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.2 tt0 -58.62 -35.38 72.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.293 0.568 . . . . 0.0 110.027 177.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.7 t -80.19 -34.01 37.76 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.59 178.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.546 HD12 ' HA ' ' A' ' 95' ' ' GLN . 71.3 mt -54.9 -54.01 48.07 Favored 'General case' 0 CA--C 1.514 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.112 175.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.468 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 12.8 m-30 -65.54 -38.71 90.42 Favored 'General case' 0 N--CA 1.447 -0.605 0 CA-C-O 121.039 0.447 . . . . 0.0 111.175 178.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.431 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.73 -33.18 68.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.344 -0.844 . . . . 0.0 110.686 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.464 HG22 ' HG ' ' A' ' 131' ' ' LEU . 45.1 m -66.02 -34.05 77.2 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.895 -178.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.431 HG13 HD21 ' A' ' 131' ' ' LEU . 2.0 mp -71.85 -53.83 18.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.455 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -62.87 -40.32 99.11 Favored Glycine 0 C--N 1.336 0.56 0 C-N-CA 120.818 -0.706 . . . . 0.0 113.97 -175.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -57.95 -40.7 77.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 177.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 43.4 t -72.33 -28.78 63.27 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 178.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.45 -37.54 71.37 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-O 121.269 0.556 . . . . 0.0 109.939 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -68.68 -28.75 67.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.145 -179.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.98 ' HA ' HG23 ' A' ' 77' ' ' VAL . 42.4 mt -76.9 -52.48 16.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 115.203 -0.908 . . . . 0.0 111.5 179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 13.2 t -58.12 -31.44 67.17 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.319 -174.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.517 ' HB2' HG13 ' A' ' 41' ' ' ILE . 6.0 pt-20 -72.51 -39.22 67.77 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -177.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -53.4 -34.54 58.12 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.388 0.614 . . . . 0.0 111.279 -172.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.509 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 42.6 m0 -71.29 -17.8 62.45 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.175 -0.92 . . . . 0.0 113.022 -174.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.448 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -64.65 -47.1 87.25 Favored Glycine 0 CA--C 1.522 0.508 0 C-N-CA 121.207 -0.521 . . . . 0.0 113.921 -170.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.483 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.3 m-85 -50.45 -61.19 2.32 Favored 'General case' 0 N--CA 1.469 0.49 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -170.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.406 ' HG3' HG12 ' A' ' 117' ' ' ILE . 18.9 ptpt -110.88 9.54 22.4 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.994 -0.283 . . . . 0.0 111.54 -175.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.639 ' HE2' HG12 ' A' ' 42' ' ' VAL . 0.4 OUTLIER 63.27 78.36 0.29 Allowed 'General case' 0 N--CA 1.461 0.121 0 CA-C-O 121.507 0.67 . . . . 0.0 110.088 -175.403 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.589 HG21 ' HB3' ' A' ' 81' ' ' SER . 9.5 mt -97.14 157.46 3.33 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 CA-C-N 115.133 -0.939 . . . . 0.0 110.47 -174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 20.4 p 74.75 132.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 124.582 1.153 . . . . 0.0 111.716 174.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -125.26 -41.31 2.06 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.568 -0.742 . . . . 0.0 109.492 177.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 17.8 t -81.4 75.66 8.35 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.373 174.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 73.1 mtp180 -93.56 102.61 14.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.97 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -74.38 123.2 24.21 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.067 -176.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -104.85 -14.3 15.55 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 175.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 35.2 t -56.94 105.98 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.038 -0.983 . . . . 0.0 110.29 177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 95.2 mt 62.92 24.09 14.36 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.036 -178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -144.4 28.94 1.92 Allowed Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.483 -178.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.607 ' HB3' ' HB2' ' A' ' 130' ' ' ASP . 23.8 t-20 -69.32 143.72 53.72 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 110.339 -0.245 . . . . 0.0 110.339 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.631 HG22 HG22 ' A' ' 30' ' ' ILE . 62.9 mt -48.83 -60.27 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 O-C-N 123.424 0.452 . . . . 0.0 112.161 -175.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.2 p -70.19 -24.24 63.09 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -177.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.607 ' HB2' ' HB3' ' A' ' 127' ' ' ASN . 1.1 m-20 -79.4 -4.09 49.43 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.888 0.375 . . . . 0.0 111.75 -176.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.464 ' HG ' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -81.12 -11.02 59.56 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.787 0.803 . . . . 0.0 109.722 179.256 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.52 ' HG2' HG13 ' A' ' 30' ' ' ILE . 3.9 ppp? -139.99 -177.43 4.99 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.906 178.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.698 ' O ' HD12 ' A' ' 137' ' ' ILE . 38.1 p -132.99 154.1 50.83 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.887 -0.325 . . . . 0.0 111.764 -169.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.79 ' HA ' HD13 ' A' ' 137' ' ' ILE . 9.9 t70 -48.27 -32.3 7.08 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.683 167.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -69.32 -32.51 71.67 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.392 178.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.462 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 11.2 t-20 -78.21 -29.67 48.49 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 107.919 -1.141 . . . . 0.0 107.919 -173.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.79 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -57.24 -39.01 64.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.554 0 CA-C-N 114.188 -1.369 . . . . 0.0 109.545 178.216 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.532 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.8 m-80 -65.9 -43.61 87.69 Favored 'General case' 0 N--CA 1.436 -1.126 0 CA-C-N 115.067 -0.969 . . . . 0.0 110.924 178.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 2.5 mp -62.03 -41.69 92.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.648 0.737 . . . . 0.0 109.04 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.665 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.02 -51.56 63.61 Favored 'General case' 0 N--CA 1.428 -1.543 0 CA-C-N 114.663 -1.153 . . . . 0.0 110.817 -176.586 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.615 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.5 mm -51.05 -45.82 30.12 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.379 0 CA-C-O 121.292 0.568 . . . . 0.0 109.476 175.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.532 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -65.75 -49.05 69.8 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.13 -176.428 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.468 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 76.8 t80 -55.93 -46.5 78.47 Favored 'General case' 0 CA--C 1.501 -0.934 0 CA-C-O 122.152 0.977 . . . . 0.0 110.273 179.115 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.729 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 39.1 mt -68.13 -45.86 72.43 Favored 'General case' 0 C--N 1.301 -1.538 0 CA-C-N 113.702 -1.59 . . . . 0.0 110.057 -178.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.589 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.4 mt-10 -53.18 -24.27 10.41 Favored 'General case' 0 CA--C 1.506 -0.734 0 O-C-N 124.138 0.899 . . . . 0.0 112.773 -177.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 71.8 mmtt -47.9 -38.87 17.38 Favored 'General case' 0 C--N 1.303 -1.438 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.665 171.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -119.76 -15.75 8.86 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-O 122.151 0.977 . . . . 0.0 110.21 176.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.729 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -94.19 175.5 6.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-N 113.717 -1.583 . . . . 0.0 111.734 -179.53 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.559 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 25.8 t-20 . . . . . 0 C--O 1.249 1.058 0 O-C-N 125.148 1.53 . . . . 0.0 108.763 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.626 0.25 . . . . 0.0 111.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.91 99.99 6.67 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 110.668 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.8 m -127.38 92.75 3.57 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.175 177.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? -137.07 91.06 2.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.161 0.505 . . . . 0.0 111.01 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 27.5 tp -138.57 3.57 2.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 121.663 0.744 . . . . 0.0 109.172 176.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.725 ' HB2' ' HG2' ' A' ' 45' ' ' LYS . 4.3 p-10 -144.27 -160.36 1.11 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.113 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.522 ' H ' ' HE3' ' A' ' 45' ' ' LYS . 71.5 t80 67.64 12.48 8.88 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.639 0.733 . . . . 0.0 110.69 179.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -83.64 -57.66 3.13 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-O 122.007 0.908 . . . . 0.0 109.625 -176.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.455 ' O ' HG12 ' A' ' 11' ' ' VAL . 9.9 p-10 -72.25 -0.79 13.06 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 113.757 -1.565 . . . . 0.0 111.026 177.424 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -56.85 91.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.467 1.127 . . . . 0.0 111.131 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -89.97 -40.85 13.27 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.868 0 CA-C-N 112.677 -2.056 . . . . 0.0 111.986 -176.443 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.781 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.51 140.75 17.32 Favored 'General case' 0 N--CA 1.442 -0.844 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 179.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.1 t80 -106.46 -44.08 4.59 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.353 -1.294 . . . . 0.0 109.862 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.65 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.29 -4.67 51.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.212 -0.904 . . . . 0.0 110.292 -177.588 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.671 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 3.2 p -41.25 -48.59 0.76 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.455 0 CA-C-N 115.343 -0.844 . . . . 0.0 112.031 172.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.551 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 27.0 t70 -116.03 20.2 14.56 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.157 -178.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.65 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 17.9 t70 -51.14 -38.54 52.6 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.358 0.599 . . . . 0.0 111.18 -176.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.831 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 26.7 t70 73.38 -18.98 0.35 Allowed 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 114.314 -1.312 . . . . 0.0 112.201 172.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.7 pttp -121.17 172.22 8.14 Favored 'General case' 0 N--CA 1.425 -1.696 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.129 -179.219 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.694 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 9.7 tp -78.39 135.39 26.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.793 0 CA-C-N 115.602 -0.726 . . . . 0.0 109.849 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 3.5 m -104.12 -169.71 1.67 Allowed 'General case' 0 N--CA 1.422 -1.827 0 CA-C-O 121.647 0.737 . . . . 0.0 111.822 -175.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.4 t -74.03 163.9 27.3 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 114.508 -1.224 . . . . 0.0 111.323 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.414 ' O ' HG12 ' A' ' 27' ' ' ILE . 18.2 mtp180 -51.68 -44.44 63.1 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.736 0.779 . . . . 0.0 109.141 167.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -71.02 -8.02 50.45 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.45 -1.25 . . . . 0.0 111.047 -171.674 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.61 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.5 -29.84 15.33 Favored 'General case' 0 N--CA 1.437 -1.104 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.197 -175.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.737 ' HB ' HG23 ' A' ' 137' ' ' ILE . 24.6 mm -74.22 -17.41 16.91 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.534 0 CA-C-O 122.437 1.113 . . . . 0.0 108.506 179.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.414 HG12 ' O ' ' A' ' 23' ' ' ARG . 47.9 mm -64.93 -55.89 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.342 0 CA-C-N 113.065 -1.879 . . . . 0.0 109.604 177.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.73 -34.67 64.88 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.718 -179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 53' ' ' LEU . 22.3 tp -51.1 -51.59 51.98 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 112.264 -2.243 . . . . 0.0 113.45 -173.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.844 HG22 HD13 ' A' ' 128' ' ' ILE . 3.9 mm -61.14 -32.63 53.31 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.7 -174.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -71.53 -41.97 68.51 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 176.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.781 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.2 mm-40 -58.44 -50.49 73.52 Favored 'General case' 0 C--O 1.224 -0.281 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 176.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -67.78 -48.78 65.39 Favored 'General case' 0 CA--C 1.509 -0.602 0 CA-C-O 121.703 0.764 . . . . 0.0 110.76 -172.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.874 HG13 HG21 ' A' ' 128' ' ' ILE . 30.2 mm -58.82 -34.04 51.13 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.091 0 CA-C-N 114.24 -1.346 . . . . 0.0 110.505 178.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 m -77.7 -31.28 52.28 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.39 0.614 . . . . 0.0 110.523 174.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.631 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.3 t90 -68.2 -41.49 81.28 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.331 -178.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.776 HH22 ' HB2' ' A' ' 61' ' ' ASP . 12.7 mmt85 -50.78 -31.87 18.17 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.339 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 27.0 t-20 -81.81 -44.02 17.5 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.466 -176.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.524 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 38.1 m170 -61.8 -33.53 74.29 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 112.473 0.545 . . . . 0.0 112.473 -175.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.787 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 19.5 t -59.36 -28.77 40.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.487 0 CA-C-O 121.898 0.856 . . . . 0.0 110.134 176.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.466 HG23 ' CE2' ' A' ' 114' ' ' TYR . 27.0 mm -85.84 -63.97 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.192 0 CA-C-N 114.607 -1.179 . . . . 0.0 112.219 -174.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.486 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.1 OUTLIER -47.47 -51.67 6.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 CA-C-N 114.735 -1.12 . . . . 0.0 111.939 -177.32 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.46 ' CD1' ' HB ' ' A' ' 42' ' ' VAL . 4.9 m-85 -93.93 -8.0 41.42 Favored 'General case' 0 C--N 1.315 -0.909 0 CA-C-N 114.751 -1.113 . . . . 0.0 111.22 -173.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.419 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.9 t-20 56.21 55.39 6.78 Favored 'General case' 0 N--CA 1.439 -0.992 0 CA-C-N 115.028 -0.987 . . . . 0.0 109.724 -171.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.787 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 63.3 mttp -73.61 -139.66 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.024 -0.989 . . . . 0.0 108.505 174.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.494 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 0.9 OUTLIER -135.83 146.07 47.12 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 121.427 0.632 . . . . 0.0 111.12 177.004 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 47' ' ' ILE . 3.2 tp -82.86 -27.69 8.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 114.482 -1.235 . . . . 0.0 110.257 173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.9 p -83.78 -13.14 54.59 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-O 122.135 0.969 . . . . 0.0 108.556 -176.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.494 ' CB ' ' HB3' ' A' ' 46' ' ' ASP . 41.1 t -82.43 82.52 7.84 Favored 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 113.571 -1.649 . . . . 0.0 110.706 178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.6 p -171.86 -171.42 0.88 Allowed 'General case' 0 N--CA 1.439 -1.003 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 176.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.586 ' O ' ' HG2' ' A' ' 55' ' ' LYS . . . -106.55 -166.04 22.67 Favored Glycine 0 N--CA 1.436 -1.303 0 CA-C-N 115.074 -0.966 . . . . 0.0 111.845 -179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.831 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 8.7 mmt180 -70.99 -41.95 70.27 Favored 'General case' 0 C--N 1.317 -0.834 0 C-N-CA 123.103 0.561 . . . . 0.0 111.674 -173.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 29' ' ' LEU . 3.2 tt -51.94 -48.1 64.41 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.239 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.636 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 3.0 m-30 -68.18 -39.07 82.61 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -175.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 68.6 mmtt -50.91 -37.41 43.78 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 120.802 0.334 . . . . 0.0 111.449 178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.691 ' HG2' HD23 ' A' ' 144' ' ' LEU . 13.6 tp10 -72.25 -39.91 68.09 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.484 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -55.77 -37.0 67.96 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.826 172.619 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.527 ' HA ' HH21 ' A' ' 37' ' ' ARG . 48.9 mtt -58.55 -34.46 71.05 Favored 'General case' 0 CA--C 1.508 -0.666 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.883 179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 55.8 mttt -70.09 -15.21 62.95 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.5 -178.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.624 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -78.07 -14.37 59.52 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.945 0.879 . . . . 0.0 109.759 177.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.776 ' HB2' HH22 ' A' ' 37' ' ' ARG . 8.0 t70 -68.26 -40.65 81.86 Favored 'General case' 0 C--N 1.315 -0.915 0 N-CA-C 107.276 -1.379 . . . . 0.0 107.276 171.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.598 ' HA ' HD12 ' A' ' 65' ' ' ILE . 9.5 t70 -74.89 -43.05 56.47 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 112.391 -2.186 . . . . 0.0 110.27 -173.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.624 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.2 p -60.9 -35.41 64.63 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 113.979 -1.464 . . . . 0.0 110.143 179.241 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.2 -43.78 60.78 Favored 'General case' 0 C--N 1.312 -1.041 0 CA-C-N 114.564 -1.198 . . . . 0.0 111.218 174.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.598 HD12 ' HA ' ' A' ' 62' ' ' ASP . 59.3 mt -56.51 -34.87 42.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 121.487 0.661 . . . . 0.0 110.481 172.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -71.65 -42.43 67.57 Favored 'General case' 0 N--CA 1.438 -1.042 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.466 176.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -79.64 -73.05 0.37 Allowed 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.62 -173.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.8 m-85 -69.92 -39.22 76.27 Favored 'General case' 0 C--N 1.31 -1.126 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.623 -177.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 107.31 144.83 11.72 Favored Glycine 0 N--CA 1.425 -2.049 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.935 174.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.435 HG13 HD21 ' A' ' 74' ' ' ASN . 10.5 tp -58.34 -44.76 89.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.095 0 CA-C-N 114.98 -0.61 . . . . 0.0 109.888 -177.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.406 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.6 t70 -56.69 -53.51 56.87 Favored 'General case' 0 CA--C 1.51 -0.596 0 CA-C-O 121.143 0.497 . . . . 0.0 111.46 178.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.837 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.93 -41.74 95.26 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.74 -177.787 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.798 HG12 HD13 ' A' ' 104' ' ' ILE . 20.3 mt -59.55 -47.76 89.74 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.126 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.44 177.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.435 HD21 HG13 ' A' ' 70' ' ' ILE . 94.9 m-20 -55.64 -46.13 77.5 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.958 179.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 14.2 mt-10 -71.15 -39.42 71.96 Favored 'General case' 0 C--N 1.321 -0.63 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.811 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.786 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -67.72 -51.9 45.93 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.085 0 CA-C-N 115.206 -0.906 . . . . 0.0 112.387 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.876 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -51.1 -51.34 22.24 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 CA-C-O 121.639 0.733 . . . . 0.0 111.03 -179.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' N ' HG13 ' A' ' 77' ' ' VAL . 40.9 mt-10 -56.43 -40.15 74.26 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.159 -1.382 . . . . 0.0 112.341 177.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.46 -50.36 73.09 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.376 178.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.786 ' HE3' HG23 ' A' ' 76' ' ' ILE . 10.3 mmt -45.63 -34.5 3.48 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-O 121.171 0.51 . . . . 0.0 111.206 173.515 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.684 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m -77.53 -19.11 56.3 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.729 -173.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -86.11 -23.0 26.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.741 177.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.53 11.72 53.0 Favored Glycine 0 N--CA 1.45 -0.367 0 CA-C-N 115.543 -0.753 . . . . 0.0 112.193 -177.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -136.4 124.66 23.2 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -162.35 -177.32 5.6 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.278 0.561 . . . . 0.0 111.846 -176.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.483 ' O ' ' HB ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -124.52 -100.32 0.4 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.262 179.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.483 ' HB ' ' O ' ' A' ' 86' ' ' TYR . 1.6 mp 74.7 137.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-O 121.36 0.6 . . . . 0.0 111.703 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -112.97 148.02 35.9 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 174.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -88.59 102.44 14.94 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.006 0.431 . . . . 0.0 111.209 -174.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.8 p -81.33 120.14 24.56 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.074 178.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.7 tttp -131.84 -65.97 0.73 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.684 0.754 . . . . 0.0 110.071 178.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 12.4 m -80.84 50.21 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 114.836 -1.074 . . . . 0.0 111.694 -177.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -120.46 -84.55 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.54 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -156.52 164.85 37.74 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.88 0.372 . . . . 0.0 110.864 179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.548 ' HA ' HD12 ' A' ' 98' ' ' LEU . 51.7 tt0 -56.94 -33.53 67.11 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 115.626 -0.716 . . . . 0.0 111.137 173.355 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -62.36 -34.46 76.73 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.514 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -74.11 -34.81 64.05 Favored 'General case' 0 N--CA 1.441 -0.89 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 95' ' ' GLN . 91.9 mt -62.66 -44.09 97.14 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 115.175 -0.921 . . . . 0.0 110.847 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.431 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.7 m-30 -70.66 -38.7 73.84 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 111.577 174.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.509 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.5 -34.51 69.15 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.335 -176.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.444 ' O ' HD11 ' A' ' 131' ' ' LEU . 0.0 OUTLIER -68.56 -26.0 65.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.773 0.321 . . . . 0.0 111.158 -177.053 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.9 mp -73.15 -54.71 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.293 177.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -65.56 -38.64 94.93 Favored Glycine 0 C--N 1.337 0.588 0 C-N-CA 120.876 -0.678 . . . . 0.0 113.814 -175.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.798 HD13 HG12 ' A' ' 73' ' ' ILE . 5.0 tp -58.73 -43.34 87.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.77 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 177.545 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.649 ' HA ' HD12 ' A' ' 108' ' ' ILE . 34.6 t -72.54 -25.27 61.31 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.457 177.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.42 ' HA ' HG22 ' A' ' 109' ' ' THR . . . -71.35 -37.95 71.63 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-O 120.97 0.414 . . . . 0.0 110.461 -178.029 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 9.8 mmtm -64.26 -36.89 85.56 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.429 0.633 . . . . 0.0 110.506 177.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.876 ' HA ' HG23 ' A' ' 77' ' ' VAL . 40.2 mt -66.37 -50.13 70.14 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 115.117 -0.947 . . . . 0.0 111.79 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.42 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.3 t -63.8 -35.45 80.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.213 -0.449 . . . . 0.0 112.022 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 38' ' ' ASN . 14.6 pt-20 -74.95 -34.92 62.13 Favored 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 120.844 -0.342 . . . . 0.0 111.448 -177.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -54.45 -45.41 73.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.375 0.607 . . . . 0.0 110.704 -178.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.57 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 52.2 m0 -59.97 -18.86 48.8 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -177.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.458 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -55.65 -58.29 14.69 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 114.27 0.468 . . . . 0.0 114.27 -172.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.466 ' CE2' HG23 ' A' ' 41' ' ' ILE . 34.5 m-85 -55.2 -48.22 74.17 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 113.258 0.836 . . . . 0.0 113.258 -164.467 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.552 ' HG3' HG12 ' A' ' 117' ' ' ILE . 9.0 ptmm? -112.32 7.67 19.38 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 119.871 -0.732 . . . . 0.0 112.389 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm 59.58 81.96 0.16 Allowed 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 121.488 0.661 . . . . 0.0 109.952 -173.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.684 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.9 mt -99.78 158.03 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.316 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.402 ' O ' ' HB3' ' A' ' 119' ' ' GLU . 8.6 t 84.05 0.03 0.99 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 114.895 -1.048 . . . . 0.0 111.669 172.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 118' ' ' SER . 44.2 tt0 72.83 -41.74 0.51 Allowed 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 122.935 0.494 . . . . 0.0 112.187 174.34 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 15.4 m -70.63 80.88 0.59 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.318 0.58 . . . . 0.0 110.995 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 121' ' ' ARG . 33.2 mtm180 -82.02 78.73 8.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.671 -0.695 . . . . 0.0 111.065 -176.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 67.1 1.41 2.36 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.628 178.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.62 -36.21 82.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.85 -177.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.401 ' O ' ' HB2' ' A' ' 125' ' ' LEU . 14.2 m -91.54 5.41 49.62 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.993 -178.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 124' ' ' SER . 9.5 mp 69.0 -63.84 0.35 Allowed 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.472 0.709 . . . . 0.0 111.311 -177.451 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 149.53 -36.61 1.0 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.984 -0.627 . . . . 0.0 111.622 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 61.1 m-80 60.63 33.05 20.41 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.362 0.601 . . . . 0.0 111.001 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.874 HG21 HG13 ' A' ' 34' ' ' ILE . 1.0 OUTLIER -74.13 -32.34 32.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.428 179.753 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.564 ' H ' HD12 ' A' ' 128' ' ' ILE . 4.1 p -67.78 -24.24 65.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.351 0.596 . . . . 0.0 110.057 174.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -78.85 -24.62 44.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.67 179.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.444 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -84.24 -23.93 30.21 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.363 0.601 . . . . 0.0 109.987 -178.271 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.666 ' SD ' HG13 ' A' ' 30' ' ' ILE . 24.5 ptm -100.73 -176.73 3.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.24 175.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.577 ' O ' HD12 ' A' ' 137' ' ' ILE . 11.3 p -114.25 -177.18 3.07 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 179.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.751 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 4.5 p-10 -83.54 -30.1 27.35 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.542 ' HA ' HD22 ' A' ' 138' ' ' ASN . 34.7 t70 -75.02 -19.4 60.07 Favored 'General case' 0 N--CA 1.44 -0.945 0 CA-C-N 111.789 -2.46 . . . . 0.0 110.565 -176.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 19.3 t-20 -75.18 -29.73 60.48 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 -176.014 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.751 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mp -59.33 -41.3 83.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.909 0 CA-C-N 112.877 -1.965 . . . . 0.0 109.869 175.097 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.542 HD22 ' HA ' ' A' ' 135' ' ' ASP . 35.6 m-80 -69.39 -44.42 71.49 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.991 178.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.491 HD12 ' O ' ' A' ' 135' ' ' ASP . 3.6 mt -61.04 -39.22 81.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.618 0.723 . . . . 0.0 109.541 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.672 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.96 -51.76 65.65 Favored 'General case' 0 N--CA 1.427 -1.605 0 CA-C-N 114.587 -1.188 . . . . 0.0 110.712 -178.89 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.559 ' O ' ' HG3' ' A' ' 145' ' ' GLU . 24.8 mm -51.39 -45.97 34.28 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.484 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 175.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.495 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -65.98 -49.46 67.77 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.134 -0.939 . . . . 0.0 112.19 -175.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -58.11 -46.05 86.23 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 122.042 0.925 . . . . 0.0 110.575 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.691 HD23 ' HG2' ' A' ' 56' ' ' GLU . 63.2 mt -67.36 -40.74 85.82 Favored 'General case' 0 C--N 1.305 -1.347 0 CA-C-N 113.878 -1.51 . . . . 0.0 110.753 -179.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.559 ' HG3' ' O ' ' A' ' 141' ' ' ILE . 25.8 mt-10 -51.39 -30.49 19.22 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 123.914 0.758 . . . . 0.0 112.075 -175.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.502 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 30.6 mtpt -56.21 -35.94 67.87 Favored 'General case' 0 C--N 1.308 -1.232 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.357 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.502 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.8 OUTLIER -117.06 -13.41 10.58 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 121.895 0.855 . . . . 0.0 109.894 -178.374 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.694 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -94.22 174.99 6.87 Favored 'General case' 0 C--N 1.312 -1.032 0 CA-C-N 113.647 -1.615 . . . . 0.0 110.53 179.366 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 4.0 t-20 . . . . . 0 C--O 1.249 1.073 0 O-C-N 123.758 0.661 . . . . 0.0 110.185 -172.072 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.782 0.325 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.1 77.5 5.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.813 0.339 . . . . 0.0 111.123 -178.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.0 m 68.2 -79.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.453 178.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.949 ' HD2' ' HA ' ' A' ' 43' ' ' PHE . 5.7 ttmm -172.14 147.55 2.07 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -177.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.844 HD12 ' H ' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -153.85 -61.11 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -177.702 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.844 ' H ' HD12 ' A' ' 5' ' ' LEU . 4.3 m-20 -103.91 65.24 0.81 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.097 0.475 . . . . 0.0 110.849 -178.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.497 ' O ' ' HB3' ' A' ' 43' ' ' PHE . 96.9 m-85 -136.63 129.49 30.82 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.259 177.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -101.28 -68.38 0.82 Allowed 'General case' 0 N--CA 1.44 -0.943 0 N-CA-C 113.715 1.006 . . . . 0.0 113.715 -174.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.559 ' HB3' ' HE1' ' A' ' 39' ' ' HIS . 41.2 t0 49.59 48.04 21.93 Favored 'General case' 0 CA--C 1.506 -0.715 0 O-C-N 124.516 1.135 . . . . 0.0 109.417 -172.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -71.96 62.64 0.45 Allowed 'General case' 0 N--CA 1.44 -0.937 0 CA-C-N 114.11 -1.405 . . . . 0.0 111.824 178.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -48.82 -44.82 15.34 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.088 0 CA-C-N 111.554 -2.566 . . . . 0.0 111.535 172.611 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.72 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.83 147.21 9.31 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-O 121.685 0.755 . . . . 0.0 112.49 176.093 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -113.25 -42.9 3.43 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 114.79 -1.095 . . . . 0.0 110.275 -175.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.704 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -84.88 -5.78 59.34 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.447 -0.797 . . . . 0.0 109.982 -178.282 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.676 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.1 p -40.79 -49.38 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 CA-C-N 115.374 -0.83 . . . . 0.0 112.326 172.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.564 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 25.2 t70 -115.74 19.94 14.91 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.645 -175.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.704 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.6 t0 -53.19 -33.39 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.749 -172.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.65 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.1 t70 72.6 -25.71 0.18 Allowed 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.047 0.842 . . . . 0.0 111.648 177.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' C ' HD13 ' A' ' 148' ' ' LEU . 24.4 pttm -121.56 171.89 8.49 Favored 'General case' 0 N--CA 1.426 -1.672 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.226 -176.113 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.665 HD11 ' HA ' ' A' ' 141' ' ' ILE . 7.0 tp -80.74 139.21 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.791 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.03 -178.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 3.7 m -100.04 -170.13 1.84 Allowed 'General case' 0 N--CA 1.423 -1.815 0 CA-C-O 121.594 0.711 . . . . 0.0 111.646 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' O ' HG12 ' A' ' 26' ' ' ILE . 34.1 t -73.22 163.11 28.58 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 114.695 -1.138 . . . . 0.0 110.468 173.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' O ' HG21 ' A' ' 137' ' ' ILE . 78.3 mtm180 -56.45 -40.84 75.49 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 122.074 0.94 . . . . 0.0 109.29 168.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -73.02 -5.57 39.74 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.329 -1.305 . . . . 0.0 110.843 -175.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.462 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 13.2 t -100.61 -25.95 13.99 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.588 -173.19 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.595 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 21.9 mm -79.96 -9.75 12.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 107.851 -1.166 . . . . 0.0 107.851 178.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' A' ' 137' ' ' ILE . 38.8 mm -67.7 -56.27 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.257 0 CA-C-N 113.115 -1.857 . . . . 0.0 109.483 175.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -73.72 -32.18 63.77 Favored 'General case' 0 N--CA 1.442 -0.863 0 CA-C-N 114.521 -1.218 . . . . 0.0 108.678 -179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 53' ' ' LEU . 21.1 tp -50.99 -50.1 58.98 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 112.762 -2.017 . . . . 0.0 113.053 -175.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.562 HG22 HG22 ' A' ' 128' ' ' ILE . 3.6 mm -58.9 -35.76 58.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.992 -178.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.811 ' HA ' HG21 ' A' ' 128' ' ' ILE . 36.6 t70 -70.35 -42.47 71.8 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.571 177.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.72 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 1.5 mt-10 -58.65 -50.99 71.81 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 120.391 0.139 . . . . 0.0 111.103 176.45 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.5 t80 -64.45 -55.95 17.45 Favored 'General case' 0 CA--C 1.507 -0.701 0 CA-C-O 121.007 0.432 . . . . 0.0 111.793 -173.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.412 HG23 HG21 ' A' ' 109' ' ' THR . 46.7 mm -57.41 -29.52 33.53 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.07 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 61.7 m -76.58 -36.94 57.27 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.006 0.431 . . . . 0.0 110.385 173.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.621 ' O ' HG23 ' A' ' 40' ' ' VAL . 79.5 t90 -67.24 -38.96 86.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.091 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.674 HH22 ' HB2' ' A' ' 61' ' ' ASP . 8.6 mmt180 -52.54 -30.22 29.48 Favored 'General case' 0 CA--C 1.516 -0.334 0 CA-C-O 121.244 0.545 . . . . 0.0 109.953 172.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -82.09 -47.36 12.67 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.642 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 1.2 m-70 -52.08 -41.89 62.76 Favored 'General case' 0 CA--C 1.527 0.06 0 N-CA-C 112.83 0.678 . . . . 0.0 112.83 -177.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.621 HG23 ' O ' ' A' ' 36' ' ' TRP . 16.9 t -57.59 -26.34 26.85 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.423 0 CA-C-O 122.078 0.942 . . . . 0.0 110.255 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.502 HG23 ' CE1' ' A' ' 114' ' ' TYR . 22.4 mm -90.49 -62.91 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.432 -1.37 0 CA-C-N 114.526 -1.216 . . . . 0.0 112.354 -176.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.454 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.76 -51.1 29.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-N 115.161 -0.927 . . . . 0.0 111.139 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.949 ' HA ' ' HD2' ' A' ' 4' ' ' LYS . 2.7 m-85 -87.4 -11.23 49.85 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-N 114.903 -1.044 . . . . 0.0 111.343 -175.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.485 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 14.6 t-20 54.9 46.18 24.97 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-N 114.748 -1.115 . . . . 0.0 110.51 -174.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.642 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 22.9 mtpp -72.46 -141.5 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 114.562 -1.199 . . . . 0.0 109.934 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.54 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 18.8 m-20 -133.03 138.21 46.71 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.332 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.434 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.2 tp -80.3 -27.76 11.89 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 122.437 1.113 . . . . 0.0 110.038 176.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 51.2 p -78.59 -16.44 57.4 Favored 'General case' 0 C--N 1.309 -1.192 0 CA-C-N 114.168 -1.378 . . . . 0.0 108.574 -177.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.54 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 29.7 t -89.44 82.89 6.38 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 112.862 -1.972 . . . . 0.0 110.222 -175.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.8 p -169.65 -169.23 0.88 Allowed 'General case' 0 N--CA 1.433 -1.31 0 CA-C-N 114.868 -1.06 . . . . 0.0 108.813 177.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.564 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -106.34 -167.63 22.9 Favored Glycine 0 N--CA 1.439 -1.157 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.18 -176.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.65 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 50.5 mtt180 -67.69 -47.04 70.54 Favored 'General case' 0 CA--C 1.504 -0.805 0 CA-C-O 121.454 0.645 . . . . 0.0 111.303 -173.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.789 HD21 HD21 ' A' ' 29' ' ' LEU . 5.3 tt -51.25 -44.69 61.81 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 114.121 -1.399 . . . . 0.0 110.871 -177.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.676 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.0 m-30 -69.9 -31.91 69.94 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -173.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 60.0 mmtt -62.08 -32.58 73.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.43 0.633 . . . . 0.0 109.761 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 79.4 mm-40 -71.23 -41.43 70.2 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.896 -177.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.602 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -55.41 -37.09 67.17 Favored 'General case' 0 C--N 1.313 -0.989 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.739 173.106 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.534 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 45.9 mtt -59.32 -31.89 69.57 Favored 'General case' 0 CA--C 1.515 -0.376 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.137 177.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.424 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 53.6 mttt -74.74 -12.89 60.52 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.944 -178.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.638 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.4 m-30 -80.98 -14.54 57.86 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.026 0.917 . . . . 0.0 109.371 176.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.674 ' HB2' HH22 ' A' ' 37' ' ' ARG . 7.9 t70 -66.63 -41.05 88.93 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 171.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.656 ' HA ' HD12 ' A' ' 65' ' ' ILE . 10.2 t70 -75.27 -42.8 54.21 Favored 'General case' 0 CA--C 1.5 -0.959 0 CA-C-N 112.502 -2.136 . . . . 0.0 110.308 -173.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.4 p -60.71 -34.94 60.82 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.094 -1.412 . . . . 0.0 109.971 179.338 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.75 -41.96 61.76 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-N 114.429 -1.26 . . . . 0.0 111.244 174.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.656 HD12 ' HA ' ' A' ' 62' ' ' ASP . 56.7 mt -58.46 -35.6 55.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.759 0.79 . . . . 0.0 110.459 171.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 26.1 ttm180 -70.92 -39.37 72.75 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.334 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -83.47 -74.19 0.38 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 115.126 -0.943 . . . . 0.0 111.32 -175.433 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -71.64 -40.38 69.76 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.183 -176.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.605 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 106.47 139.9 9.64 Favored Glycine 0 N--CA 1.43 -1.741 0 CA-C-N 115.55 -0.75 . . . . 0.0 112.059 175.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.614 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.0 tp -57.04 -44.14 82.35 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.103 0 CA-C-N 114.76 -0.72 . . . . 0.0 109.951 -175.044 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -57.77 -51.46 69.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.777 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.576 ' HA ' ' CE ' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -65.96 -40.41 91.27 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.614 179.112 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.794 HG12 HD13 ' A' ' 104' ' ' ILE . 43.8 mt -57.32 -47.37 84.62 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-O 121.057 0.456 . . . . 0.0 110.357 176.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -53.47 -46.85 70.1 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.939 175.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -67.57 -37.32 82.47 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.867 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.708 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.94 -53.9 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.166 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.629 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.816 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -53.94 -51.07 48.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.75 0.786 . . . . 0.0 111.613 -177.004 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 41.6 mt-10 -59.12 -39.64 82.95 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-N 114.288 -1.324 . . . . 0.0 112.408 178.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -58.77 -47.44 84.68 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.044 0.45 . . . . 0.0 110.486 175.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.708 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.1 mmt -48.9 -36.53 17.37 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 115.583 -0.735 . . . . 0.0 112.188 175.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.562 ' HB2' HG21 ' A' ' 117' ' ' ILE . 83.2 p -68.48 -24.75 64.72 Favored 'General case' 0 N--CA 1.448 -0.544 0 CA-C-O 121.427 0.632 . . . . 0.0 110.449 -170.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.847 ' HA ' ' HB3' ' A' ' 119' ' ' GLU . 46.4 mt-10 -102.44 4.54 38.88 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.596 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.837 ' HA3' ' HA ' ' A' ' 120' ' ' SER . . . 63.63 37.47 94.79 Favored Glycine 0 C--N 1.331 0.3 0 CA-C-N 115.522 -0.763 . . . . 0.0 112.968 177.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.444 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 34.9 t70 -148.43 110.44 4.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.544 ' ND1' HD13 ' A' ' 87' ' ' ILE . 24.5 p80 -149.14 -167.58 2.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.222 0.534 . . . . 0.0 111.859 -174.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.52 ' HD1' ' H ' ' A' ' 87' ' ' ILE . 0.1 OUTLIER -123.44 -74.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.321 -0.854 . . . . 0.0 111.098 -175.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.544 HD13 ' ND1' ' A' ' 85' ' ' HIS . 1.5 mp 73.33 127.37 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 CA-C-O 121.44 0.638 . . . . 0.0 111.348 -178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -124.03 -174.38 2.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.132 -176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.6 p90 -89.67 161.54 16.05 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.041 0.448 . . . . 0.0 111.34 -176.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.452 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 34.3 p -87.4 -5.29 58.92 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.349 -175.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 90' ' ' THR . 65.4 tttp 73.72 -75.06 0.08 Allowed 'General case' 0 N--CA 1.465 0.3 0 O-C-N 124.118 0.886 . . . . 0.0 109.695 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 26.9 m -96.55 158.67 3.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.85 175.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 42.0 m80 -107.78 55.72 0.64 Allowed 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.438 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 2.3 t70 -98.43 165.06 12.02 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.479 -0.488 . . . . 0.0 111.144 -172.411 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.555 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.5 tt0 -55.08 -39.02 68.82 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -178.274 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -58.52 -40.96 84.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.106 0.479 . . . . 0.0 110.719 179.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.2 m -70.3 -36.21 74.19 Favored 'General case' 0 N--CA 1.436 -1.169 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.467 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.555 HD12 ' HA ' ' A' ' 95' ' ' GLN . 87.0 mt -57.35 -54.21 49.36 Favored 'General case' 0 CA--C 1.516 -0.35 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.205 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 11.4 m-30 -65.61 -38.96 90.91 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-O 120.917 0.389 . . . . 0.0 111.305 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.457 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.66 -32.82 67.67 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.466 -0.788 . . . . 0.0 110.481 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.542 ' O ' HD11 ' A' ' 131' ' ' LEU . 48.6 m -67.13 -32.25 73.24 Favored 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.85 -178.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.78 -53.72 19.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.579 -0.282 . . . . 0.0 110.381 178.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.54 -38.51 95.82 Favored Glycine 0 C--N 1.337 0.598 0 C-N-CA 120.774 -0.726 . . . . 0.0 113.83 -175.389 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.794 HD13 HG12 ' A' ' 73' ' ' ILE . 5.9 tp -59.61 -39.19 78.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-O 121.066 0.46 . . . . 0.0 109.839 177.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.556 ' HA ' HD12 ' A' ' 108' ' ' ILE . 42.2 t -72.87 -27.47 61.93 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.43 177.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.7 -35.57 75.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 120.816 0.341 . . . . 0.0 111.039 -174.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.519 ' HE2' ' OD1' ' A' ' 61' ' ' ASP . 24.1 mttm -73.99 -27.91 61.2 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.294 0.569 . . . . 0.0 111.27 179.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.816 ' HA ' HG23 ' A' ' 77' ' ' VAL . 51.8 mt -68.64 -47.54 76.25 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.093 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.897 179.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.412 HG21 HG23 ' A' ' 34' ' ' ILE . 7.3 t -66.0 -36.32 82.96 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.635 -0.712 . . . . 0.0 112.355 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.455 ' O ' HG21 ' A' ' 41' ' ' ILE . 10.1 pt-20 -70.79 -44.82 65.82 Favored 'General case' 0 N--CA 1.462 0.141 0 N-CA-C 112.321 0.489 . . . . 0.0 112.321 -176.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -50.83 -36.09 35.75 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.93 0.492 . . . . 0.0 111.99 -173.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 49.2 m0 -71.96 -19.37 61.9 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -173.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.1 -43.7 98.34 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 121.171 -0.537 . . . . 0.0 114.115 -168.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.502 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.7 m-85 -51.51 -61.35 2.3 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 117.085 0.442 . . . . 0.0 112.129 -170.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 18.7 ptpt -111.6 15.74 20.95 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.738 -0.385 . . . . 0.0 111.618 -178.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 91.4 mttt 56.3 71.8 0.54 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 121.421 0.629 . . . . 0.0 110.849 -176.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.562 ' O ' ' HB2' ' A' ' 118' ' ' SER . 17.5 mt -85.47 144.49 9.49 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.498 -0.773 . . . . 0.0 111.266 -175.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.562 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 15.9 t 167.83 83.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 O-C-N 124.145 0.903 . . . . 0.0 110.007 177.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.847 ' HB3' ' HA ' ' A' ' 82' ' ' GLU . 13.6 tp10 -70.81 -42.13 70.67 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 173.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.837 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 6.1 t 53.26 69.87 0.65 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.889 175.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -53.62 -60.33 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.89 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 51.9 t80 -169.27 -27.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.046 0.451 . . . . 0.0 110.399 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -79.64 58.61 2.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.333 0.587 . . . . 0.0 110.695 -179.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 34.5 t -88.09 81.82 7.32 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.961 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -139.68 125.96 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 -178.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 142.12 98.12 0.3 Allowed Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.456 177.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -105.51 164.69 11.69 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.811 HG21 ' HA ' ' A' ' 31' ' ' ASP . 58.7 mt -71.81 -73.08 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -173.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.453 HG23 ' HB2' ' A' ' 31' ' ' ASP . 1.3 p -61.89 -29.48 70.23 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -67.45 -6.51 19.68 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 112.241 0.46 . . . . 0.0 112.241 -176.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.542 HD11 ' O ' ' A' ' 101' ' ' THR . 0.0 OUTLIER -91.17 -9.17 46.41 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-O 120.972 0.415 . . . . 0.0 111.516 -173.567 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.654 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? -145.83 172.51 13.22 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.548 ' O ' HD12 ' A' ' 137' ' ' ILE . 20.0 p -126.28 155.49 41.84 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 111.741 0.274 . . . . 0.0 111.741 -168.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.95 ' HA ' HD13 ' A' ' 137' ' ' ILE . 6.9 t70 -48.62 -31.08 6.13 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 123.781 0.676 . . . . 0.0 111.069 169.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -72.0 -29.56 64.34 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.967 179.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.654 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 10.5 t-20 -78.25 -27.59 47.62 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -177.235 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.95 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.9 OUTLIER -57.8 -37.23 58.8 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 113.969 -1.469 . . . . 0.0 109.711 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.518 ' O ' HD13 ' A' ' 142' ' ' LEU . 22.8 m-80 -63.65 -44.55 93.5 Favored 'General case' 0 N--CA 1.44 -0.96 0 CA-C-N 114.988 -1.006 . . . . 0.0 110.453 178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.625 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.44 -43.37 96.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.371 -0.832 . . . . 0.0 108.8 178.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.7 -52.16 64.37 Favored 'General case' 0 N--CA 1.426 -1.66 0 CA-C-N 114.185 -1.371 . . . . 0.0 110.843 -176.478 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.665 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.3 mm -51.68 -43.68 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.408 0 CA-C-O 121.302 0.572 . . . . 0.0 109.899 176.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.518 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.15 -48.72 67.16 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 114.836 -1.075 . . . . 0.0 111.648 -175.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.517 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 73.0 t80 -56.51 -47.72 78.71 Favored 'General case' 0 CA--C 1.502 -0.885 0 CA-C-O 122.199 1.0 . . . . 0.0 110.312 178.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 39.9 mt -67.1 -42.42 84.62 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 113.913 -1.494 . . . . 0.0 110.335 -177.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HA ' ' HB2' ' A' ' 148' ' ' LEU . 14.7 mt-10 -55.23 -24.4 27.37 Favored 'General case' 0 CA--C 1.51 -0.561 0 O-C-N 124.092 0.87 . . . . 0.0 112.525 -176.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.562 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 6.4 mmmm -47.74 -39.05 16.72 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-N 114.914 -1.039 . . . . 0.0 111.271 170.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.562 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -118.47 -11.46 9.96 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.795 0.807 . . . . 0.0 110.319 176.488 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -102.1 174.64 5.84 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.13 -1.395 . . . . 0.0 112.411 -175.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.603 ' HB2' ' O ' ' A' ' 148' ' ' LEU . 18.2 t-20 . . . . . 0 C--O 1.242 0.681 0 CA-C-N 113.739 -1.573 . . . . 0.0 108.727 -176.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.1 mtp . . . . . 0 N--CA 1.483 1.195 0 CA-C-O 120.971 0.415 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.87 103.28 15.21 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.181 177.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.3 m -79.92 64.87 4.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.344 0.592 . . . . 0.0 110.477 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.403 ' HB3' ' NZ ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -147.16 24.86 1.14 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.367 -179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 6' ' ' ASP . 10.2 mp -110.56 -157.74 0.62 Allowed 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.662 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.438 ' H ' ' HB3' ' A' ' 5' ' ' LEU . 4.8 m-20 62.2 73.54 0.46 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.44 0.638 . . . . 0.0 109.863 178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' HB3' ' HB3' ' A' ' 43' ' ' PHE . 73.9 m-85 -92.83 121.1 33.86 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.426 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 32.8 mt-10 -131.15 -78.32 0.52 Allowed 'General case' 0 CA--C 1.502 -0.867 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.346 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' O ' HG12 ' A' ' 11' ' ' VAL . 1.6 m-20 52.36 32.68 11.5 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.404 -173.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.443 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -75.53 73.61 2.55 Favored 'General case' 0 N--CA 1.439 -0.996 0 CA-C-O 122.988 1.375 . . . . 0.0 111.312 -178.418 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -65.79 -43.76 93.24 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-N 111.597 -2.547 . . . . 0.0 111.534 175.82 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.537 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.71 141.61 16.43 Favored 'General case' 0 N--CA 1.437 -1.09 0 CA-C-O 121.736 0.779 . . . . 0.0 112.706 177.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -104.13 -42.31 5.57 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.546 -1.206 . . . . 0.0 109.524 178.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.939 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -74.02 -10.54 59.74 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.36 -177.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.594 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.7 p -47.25 -48.43 9.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.032 175.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.556 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 26.8 t70 -115.55 20.57 14.63 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.391 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.939 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 37.2 t0 -49.62 -40.76 40.31 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.069 -175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.664 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 8.3 t70 74.45 -19.84 0.35 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 113.956 -1.475 . . . . 0.0 111.522 173.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.496 ' C ' HD13 ' A' ' 148' ' ' LEU . 60.5 pttt -125.93 170.81 11.31 Favored 'General case' 0 N--CA 1.421 -1.893 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.84 -178.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.752 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 4.9 tp -86.51 138.63 18.69 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.145 -177.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 -162.51 0.81 Allowed 'General case' 0 N--CA 1.439 -0.976 0 CA-C-O 121.234 0.54 . . . . 0.0 111.544 -177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 47.4 t -66.12 162.8 18.89 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.481 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.446 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.3 mtt180 -59.26 -38.81 81.0 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-O 122.168 0.985 . . . . 0.0 108.919 169.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.441 ' HA ' HG13 ' A' ' 27' ' ' ILE . 22.4 t70 -72.26 -4.68 31.03 Favored 'General case' 0 C--N 1.315 -0.911 0 CA-C-N 114.253 -1.339 . . . . 0.0 110.943 -176.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 22.7 t -93.73 -28.27 16.03 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.55 -176.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.483 ' HB ' HG23 ' A' ' 137' ' ' ILE . 22.1 mm -78.37 -8.66 11.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 122.626 1.203 . . . . 0.0 108.041 179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.441 HG13 ' HA ' ' A' ' 24' ' ' ASP . 45.2 mm -72.2 -56.01 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.246 0 CA-C-N 113.063 -1.881 . . . . 0.0 109.954 177.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.485 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 7.7 m-20 -72.59 -31.62 65.35 Favored 'General case' 0 CA--C 1.501 -0.911 0 CA-C-O 122.513 1.149 . . . . 0.0 108.441 179.59 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 53' ' ' LEU . 33.7 tp -51.03 -50.16 59.13 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 112.544 -2.116 . . . . 0.0 112.952 -175.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD13 ' HA ' ' A' ' 30' ' ' ILE . 3.8 mm -57.86 -35.04 49.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.098 -177.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.5 -47.42 60.6 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 176.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' HG3' ' CE2' ' A' ' 14' ' ' PHE . 4.2 mm-40 -58.51 -51.42 69.96 Favored 'General case' 0 C--O 1.222 -0.368 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.545 178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.454 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 77.0 t80 -60.75 -56.7 18.06 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.628 -175.705 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.9 mm -56.36 -33.7 38.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.45 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 79.1 m -75.69 -35.94 60.17 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 120.961 0.41 . . . . 0.0 111.019 174.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 73.6 t90 -67.26 -39.8 86.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.994 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 37' ' ' ARG . 16.9 mmm180 -58.97 -20.85 56.41 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-O 120.995 0.426 . . . . 0.0 110.247 174.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.45 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.5 t-20 -85.23 -46.09 11.37 Favored 'General case' 0 N--CA 1.444 -0.741 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.264 178.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.714 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 11.6 m170 -52.57 -39.82 61.94 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.685 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 16.7 t -59.09 -24.05 26.09 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.351 0 CA-C-O 121.64 0.734 . . . . 0.0 110.732 -179.319 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.54 HG21 ' O ' ' A' ' 110' ' ' GLU . 20.5 mm -93.36 -65.29 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.186 0 CA-C-N 114.963 -1.017 . . . . 0.0 112.77 -174.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -52.81 -48.15 50.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.845 0 CA-C-N 114.761 -1.109 . . . . 0.0 111.117 -179.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.598 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 2.5 m-85 -89.6 -10.05 47.44 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 114.572 -1.195 . . . . 0.0 110.454 -176.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.487 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 4.1 t-20 53.0 50.88 16.95 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 114.582 -1.19 . . . . 0.0 110.317 -175.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.714 ' HD3' ' HB3' ' A' ' 39' ' ' HIS . 57.3 mtpt -75.34 -136.97 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.783 177.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -135.44 149.63 49.64 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-O 121.429 0.633 . . . . 0.0 110.723 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.8 tp -79.75 -29.8 13.16 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.989 0 CA-C-N 114.635 -1.166 . . . . 0.0 110.403 172.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.2 p -79.93 -15.32 57.54 Favored 'General case' 0 C--N 1.31 -1.14 0 CA-C-N 115.091 -0.959 . . . . 0.0 108.828 -177.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 30.3 t -74.74 82.19 2.09 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 113.727 -1.579 . . . . 0.0 110.13 177.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p 178.1 -173.47 0.14 Allowed 'General case' 0 N--CA 1.437 -1.092 0 CA-C-N 115.318 -0.856 . . . . 0.0 109.422 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.556 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -115.26 -166.74 15.1 Favored Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.303 -176.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.664 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.0 mmt180 -63.21 -47.44 82.54 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 123.254 0.622 . . . . 0.0 111.597 -171.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.731 HD21 HD21 ' A' ' 29' ' ' LEU . 6.3 tt -52.34 -47.64 65.95 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 114.422 -1.263 . . . . 0.0 110.919 -176.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.632 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.0 m-85 -67.51 -32.62 73.56 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.223 0.823 . . . . 0.0 113.223 -174.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 55.4 mmtt -60.45 -35.11 75.08 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.885 0.374 . . . . 0.0 110.093 -175.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.429 ' HA ' ' HG3' ' A' ' 59' ' ' LYS . 0.6 OUTLIER -72.5 -37.19 68.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.843 -176.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.632 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -55.69 -38.26 69.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.498 173.915 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.507 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 41.6 mtt -59.39 -34.6 72.62 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.863 179.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 62' ' ' ASP . 47.6 mttt -73.31 -11.25 60.43 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.751 -178.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -76.92 -13.51 59.97 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 122.107 0.956 . . . . 0.0 109.316 175.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.615 ' O ' HG13 ' A' ' 65' ' ' ILE . 5.9 t70 -69.01 -39.56 79.23 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.167 -1.379 . . . . 0.0 107.788 171.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.854 ' HA ' HD12 ' A' ' 65' ' ' ILE . 13.2 t70 -75.42 -43.72 48.37 Favored 'General case' 0 CA--C 1.502 -0.899 0 CA-C-N 112.711 -2.04 . . . . 0.0 110.69 -173.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.588 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.8 p -60.05 -34.43 56.56 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.401 0 CA-C-N 113.894 -1.503 . . . . 0.0 110.032 178.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.44 -40.6 64.09 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.302 -1.317 . . . . 0.0 110.966 173.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 62' ' ' ASP . 53.4 mt -57.66 -35.66 51.48 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.177 0 CA-C-O 121.151 0.501 . . . . 0.0 110.497 172.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 18.4 ttt85 -68.07 -49.32 62.02 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-O 121.46 0.648 . . . . 0.0 110.081 173.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.02 -70.23 0.43 Allowed 'General case' 0 N--CA 1.442 -0.826 0 CA-C-N 114.92 -1.037 . . . . 0.0 111.66 -171.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' O ' ' HB2' ' A' ' 72' ' ' LYS . 49.9 m-85 -71.74 -37.26 70.58 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.202 -178.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.66 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 100.17 142.46 13.09 Favored Glycine 0 N--CA 1.431 -1.694 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.773 177.317 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.9 tp -54.13 -43.03 58.46 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.059 0 O-C-N 124.177 0.575 . . . . 0.0 109.908 -176.379 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -56.86 -52.96 63.07 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-O 121.106 0.479 . . . . 0.0 111.197 177.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.818 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -78.61 -2.5 39.26 Favored 'General case' 0 C--O 1.217 -0.626 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.636 -176.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.676 HG12 HD13 ' A' ' 104' ' ' ILE . 12.6 mt -90.4 -48.04 14.38 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.164 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 168.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -54.69 -47.74 73.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.619 176.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -63.28 -42.19 99.09 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.124 -0.944 . . . . 0.0 110.111 -179.562 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.952 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.3 mp -72.7 -53.5 18.82 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.374 0 CA-C-N 114.351 -1.295 . . . . 0.0 112.477 -175.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.604 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.3 p -53.22 -52.38 31.26 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.202 0 CA-C-O 121.76 0.79 . . . . 0.0 111.626 -177.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.472 ' N ' HG13 ' A' ' 77' ' ' VAL . 34.8 mt-10 -59.83 -39.63 85.72 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-N 114.432 -1.258 . . . . 0.0 112.328 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -44.54 96.34 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.738 -0.21 . . . . 0.0 110.945 177.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.952 ' HE3' HG23 ' A' ' 76' ' ' ILE . 18.4 mmt -42.68 -41.25 3.05 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 116.032 -0.531 . . . . 0.0 112.328 174.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.656 ' HB2' ' CG2' ' A' ' 117' ' ' ILE . 71.2 p -69.35 -10.83 59.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.367 -170.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 67.5 mt-10 -92.22 -5.15 53.03 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 69.84 23.8 76.71 Favored Glycine 0 CA--C 1.518 0.232 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.98 -179.267 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -127.71 -76.29 0.57 Allowed 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 -175.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.539 ' CD2' ' HA ' ' A' ' 80' ' ' MET . 32.4 p80 44.22 -158.26 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 169.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.6 ' HD1' ' O ' ' A' ' 86' ' ' TYR . 0.1 OUTLIER -175.73 155.41 1.7 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 113.606 -1.634 . . . . 0.0 108.276 -174.554 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.457 HD13 ' O ' ' A' ' 86' ' ' TYR . 7.1 mm -148.49 131.55 7.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 120.927 0.394 . . . . 0.0 110.906 176.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -82.41 118.72 23.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.742 174.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -67.77 163.38 21.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.052 -178.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.6 p -65.6 115.62 5.98 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.73 -177.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.7 tttp -58.18 -68.9 0.21 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.592 174.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 35.9 m -103.04 135.93 38.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.203 174.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -86.07 70.38 10.59 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.235 0.541 . . . . 0.0 110.3 -179.422 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.461 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.6 m-20 -110.43 160.58 16.47 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.931 178.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.539 ' HA ' HD12 ' A' ' 98' ' ' LEU . 42.0 tt0 -49.0 -42.61 38.52 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.268 0.47 . . . . 0.0 112.268 -177.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -61.12 -40.1 92.52 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.847 -178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.83 -37.9 76.35 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-O 121.047 0.451 . . . . 0.0 109.837 176.078 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.539 HD12 ' HA ' ' A' ' 95' ' ' GLN . 92.5 mt -58.76 -54.14 50.5 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.337 179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.504 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.1 m-30 -62.76 -39.78 95.25 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 120.994 0.426 . . . . 0.0 110.934 179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.469 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -33.52 67.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.838 -178.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.513 HG22 ' HG ' ' A' ' 131' ' ' LEU . 57.2 m -67.77 -33.16 74.29 Favored 'General case' 0 N--CA 1.439 -1.005 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.139 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.701 HG13 HD21 ' A' ' 131' ' ' LEU . 2.0 mp -71.38 -54.84 15.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.348 178.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.425 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -64.07 -40.48 98.18 Favored Glycine 0 C--N 1.336 0.53 0 C-N-CA 120.857 -0.687 . . . . 0.0 114.123 -174.281 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.676 HD13 HG12 ' A' ' 73' ' ' ILE . 6.3 tp -57.93 -41.18 79.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 121.054 0.454 . . . . 0.0 109.93 178.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.817 ' HA ' HD12 ' A' ' 108' ' ' ILE . 74.8 m -73.91 -25.52 60.04 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.321 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.433 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.43 -35.24 73.27 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-O 120.963 0.411 . . . . 0.0 110.332 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.426 ' HG2' ' OD2' ' A' ' 61' ' ' ASP . 9.0 mmtm -63.04 -30.26 71.46 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.65 0.738 . . . . 0.0 110.453 176.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.817 HD12 ' HA ' ' A' ' 105' ' ' CYS . 57.8 mt -75.71 -47.88 31.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.021 0 CA-C-N 114.767 -1.106 . . . . 0.0 111.286 -177.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.401 HG22 ' HA ' ' A' ' 106' ' ' ALA . 8.9 t -63.05 -36.62 84.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.19 -0.459 . . . . 0.0 112.069 -178.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.54 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.6 pt-20 -71.89 -42.58 66.62 Favored 'General case' 0 CA--C 1.531 0.213 0 O-C-N 122.147 -0.346 . . . . 0.0 111.892 -178.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -55.85 -33.06 64.18 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.833 0.349 . . . . 0.0 111.741 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . . . . . . . . . 54.7 m0 -71.24 -19.85 62.31 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.986 0.736 . . . . 0.0 112.986 -174.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -66.91 -45.9 79.0 Favored Glycine 0 C--O 1.225 -0.419 0 C-N-CA 121.261 -0.495 . . . . 0.0 113.978 -168.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.492 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.9 m-85 -52.85 -58.77 5.82 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -170.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.447 ' HG3' HG12 ' A' ' 117' ' ' ILE . 23.7 pttm -112.24 12.48 20.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -176.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 93.3 mttt 61.59 80.33 0.22 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.312 0.577 . . . . 0.0 110.957 -177.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.656 ' CG2' ' HB2' ' A' ' 81' ' ' SER . 3.5 mt -103.33 157.14 5.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.96 -175.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.582 ' HB2' ' HA ' ' A' ' 81' ' ' SER . 8.1 t 61.16 78.68 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.333 175.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -82.96 60.69 5.57 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.406 0.622 . . . . 0.0 109.527 176.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 12.7 p -107.47 59.11 0.62 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.261 -179.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -82.93 63.52 7.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.742 -175.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 43.0 m-85 -102.55 -77.06 0.56 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.699 -178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -96.56 -64.84 1.01 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.078 -176.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 16.8 m -86.73 116.76 25.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.435 -175.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 25.9 tp -135.82 20.03 3.28 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.762 0.791 . . . . 0.0 108.957 174.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 157.22 -175.45 34.65 Favored Glycine 0 N--CA 1.446 -0.69 0 CA-C-N 114.889 -1.051 . . . . 0.0 111.077 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 62.8 t30 67.65 -89.39 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 123.203 0.601 . . . . 0.0 111.017 179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.432 ' O ' HG22 ' A' ' 128' ' ' ILE . 12.3 mt 52.4 28.58 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 CA-C-O 121.46 0.648 . . . . 0.0 112.027 178.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 21.3 p -65.28 -22.92 66.91 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 121.787 -0.57 . . . . 0.0 111.09 175.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -59.62 -10.33 3.46 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.223 179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.701 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -77.78 -12.03 59.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.859 0.838 . . . . 0.0 109.737 178.327 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.461 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? -143.38 -168.17 2.75 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.78 -1.1 . . . . 0.0 108.712 179.177 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.676 ' O ' HD12 ' A' ' 137' ' ' ILE . 36.9 p -139.34 154.8 47.94 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.415 -174.311 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.761 ' HA ' HD13 ' A' ' 137' ' ' ILE . 16.1 t70 -48.38 -31.64 6.44 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-O 121.589 0.709 . . . . 0.0 110.978 165.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.44 ' O ' HD12 ' A' ' 139' ' ' ILE . 30.2 t70 -71.68 -26.99 62.74 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.305 -0.861 . . . . 0.0 109.585 178.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.591 ' HA ' HD12 ' A' ' 139' ' ' ILE . 10.7 t-20 -79.78 -33.62 40.42 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 114.882 -1.054 . . . . 0.0 108.22 -177.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.761 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -56.69 -39.55 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 114.08 -1.418 . . . . 0.0 110.018 179.467 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 20.5 m-80 -64.45 -42.93 95.69 Favored 'General case' 0 N--CA 1.437 -1.118 0 CA-C-N 115.102 -0.954 . . . . 0.0 110.792 178.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.591 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.8 mt -63.46 -40.57 89.55 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-O 121.584 0.706 . . . . 0.0 109.625 178.494 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.559 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.77 -50.98 66.88 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 114.781 -1.099 . . . . 0.0 111.126 -178.28 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.636 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.8 mm -51.13 -47.07 32.42 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.332 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 174.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -65.57 -48.94 70.66 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-N 114.77 -1.105 . . . . 0.0 112.096 -175.566 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -56.49 -47.69 78.72 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-O 121.962 0.887 . . . . 0.0 110.565 178.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.787 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 54.9 mt -67.8 -41.27 83.4 Favored 'General case' 0 C--N 1.302 -1.483 0 CA-C-N 114.196 -1.366 . . . . 0.0 110.074 -178.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.485 ' HG3' HG12 ' A' ' 20' ' ' ILE . 18.5 mt-10 -53.3 -24.15 10.98 Favored 'General case' 0 CA--C 1.507 -0.682 0 O-C-N 124.101 0.876 . . . . 0.0 112.813 -178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.618 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 13.3 mmmm -48.28 -39.09 20.5 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.885 171.545 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.618 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -120.32 -19.81 7.51 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.446 1.117 . . . . 0.0 110.157 178.533 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.787 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.1 OUTLIER -83.78 176.04 9.22 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 113.548 -1.66 . . . . 0.0 109.725 175.699 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 5.7 t30 . . . . . 0 C--O 1.253 1.257 0 CA-C-O 118.97 -0.538 . . . . 0.0 110.0 -170.158 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.483 1.191 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.44 -71.19 0.72 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 171.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 29.7 m 70.41 -59.09 0.53 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.333 0.864 . . . . 0.0 113.333 168.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -96.82 125.09 41.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.501 0.667 . . . . 0.0 111.568 -174.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -150.08 -163.93 1.9 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.204 -0.907 . . . . 0.0 109.143 176.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 62.33 56.94 2.04 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 121.579 0.704 . . . . 0.0 110.002 -175.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.429 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 49.5 m-85 -121.41 178.92 4.6 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.116 -0.947 . . . . 0.0 109.597 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.569 ' CB ' ' HE2' ' A' ' 45' ' ' LYS . 27.0 mt-10 -136.65 -58.47 0.73 Allowed 'General case' 0 CA--C 1.496 -1.131 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.636 173.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 54.12 38.7 29.64 Favored 'General case' 0 N--CA 1.441 -0.9 0 O-C-N 124.362 1.039 . . . . 0.0 109.669 -176.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -50.76 88.17 0.0 OUTLIER 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.04 1.4 . . . . 0.0 112.392 178.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -73.09 -41.21 59.16 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.024 0 CA-C-N 111.748 -2.478 . . . . 0.0 111.048 174.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.618 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -52.91 145.89 11.85 Favored 'General case' 0 N--CA 1.433 -1.298 0 CA-C-O 121.656 0.741 . . . . 0.0 112.331 174.208 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -108.39 -48.53 3.33 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.703 -1.135 . . . . 0.0 110.398 -177.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.783 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -77.34 -6.92 55.05 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.021 -177.675 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.658 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.3 p -44.22 -47.36 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.43 171.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.603 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 18.0 t70 -115.67 17.89 16.02 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.111 -0.949 . . . . 0.0 110.304 -174.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.783 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 24.0 t70 -53.58 -38.05 63.54 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.705 -173.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.846 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 74.31 -18.53 0.41 Allowed 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 114.648 -1.16 . . . . 0.0 111.452 173.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.546 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.5 pttp -122.72 172.92 8.07 Favored 'General case' 0 N--CA 1.427 -1.594 0 C-N-CA 123.439 0.696 . . . . 0.0 111.241 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.758 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.6 tp -81.28 135.72 24.53 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-N 115.454 -0.793 . . . . 0.0 109.175 178.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.459 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -102.86 -169.79 1.71 Allowed 'General case' 0 N--CA 1.43 -1.432 0 CA-C-O 121.562 0.696 . . . . 0.0 111.237 -175.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.0 t -71.79 168.45 17.8 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.056 -0.975 . . . . 0.0 111.627 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.55 ' O ' HG21 ' A' ' 137' ' ' ILE . 90.7 mtt180 -55.49 -44.33 76.44 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 122.018 0.913 . . . . 0.0 109.247 168.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -73.69 -5.78 42.67 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.613 -1.176 . . . . 0.0 111.245 -172.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.511 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 10.3 t -99.3 -24.27 14.89 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.692 -173.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.559 ' HB ' HG13 ' A' ' 137' ' ' ILE . 21.0 mm -81.21 -6.69 10.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 122.586 1.184 . . . . 0.0 107.918 178.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.484 ' HA ' ' HB3' ' A' ' 127' ' ' ASN . 44.1 mm -72.58 -55.74 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.21 0 CA-C-N 113.134 -1.848 . . . . 0.0 110.25 177.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -73.05 -30.71 63.92 Favored 'General case' 0 CA--C 1.504 -0.824 0 CA-C-O 122.357 1.075 . . . . 0.0 108.479 179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 53' ' ' LEU . 24.1 tp -50.65 -49.35 57.25 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 112.464 -2.153 . . . . 0.0 113.192 -175.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD13 ' HA ' ' A' ' 30' ' ' ILE . 4.1 mm -59.69 -35.7 61.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.065 -176.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.433 ' OD1' ' HA ' ' A' ' 125' ' ' LEU . 27.4 t70 -71.5 -42.04 68.51 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 176.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -57.97 -50.7 72.48 Favored 'General case' 0 C--O 1.223 -0.323 0 CA-C-N 116.759 -0.201 . . . . 0.0 110.809 177.407 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 74.3 t80 -65.48 -56.97 9.5 Favored 'General case' 0 CA--C 1.511 -0.534 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.9 -174.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 29.8 mm -55.23 -33.8 31.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.819 179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.432 HG22 ' CD2' ' A' ' 39' ' ' HIS . 40.4 m -77.96 -34.08 51.24 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 122.112 -0.368 . . . . 0.0 110.913 175.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 76.8 t90 -66.75 -36.57 82.74 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-O 120.789 0.328 . . . . 0.0 110.417 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.52 ' HA ' ' NE ' ' A' ' 37' ' ' ARG . 0.7 OUTLIER -57.85 -23.3 52.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.258 174.114 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -84.57 -49.59 8.45 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.771 -0.826 . . . . 0.0 108.771 177.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.664 ' HB3' ' HD2' ' A' ' 45' ' ' LYS . 15.8 m-70 -52.33 -33.94 44.91 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -176.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 36' ' ' TRP . 21.5 t -67.55 -23.07 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.38 0 CA-C-O 122.179 0.99 . . . . 0.0 109.433 -176.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.558 HG21 ' O ' ' A' ' 110' ' ' GLU . 26.4 mm -92.2 -61.21 2.08 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.197 0 CA-C-N 114.046 -1.434 . . . . 0.0 112.085 -175.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.18 -49.2 41.38 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.418 -179.234 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.476 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 1.9 m-85 -88.53 -12.2 43.51 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 114.661 -1.154 . . . . 0.0 110.35 -176.56 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.489 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 14.4 t-20 51.55 58.16 5.8 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 114.658 -1.155 . . . . 0.0 110.375 -171.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.664 ' HD2' ' HB3' ' A' ' 39' ' ' HIS . 5.4 mtpm? -75.76 -138.3 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 114.44 -1.255 . . . . 0.0 109.696 178.12 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.568 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 24.4 m-20 -134.63 137.17 43.42 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.915 -1.038 . . . . 0.0 109.542 175.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.409 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.9 tp -70.65 -28.56 34.82 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 CA-C-O 122.275 1.036 . . . . 0.0 109.836 172.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 61.3 p -75.26 -17.03 60.41 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 113.997 -1.456 . . . . 0.0 108.919 -178.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.568 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 30.3 t -84.44 82.22 8.49 Favored 'General case' 0 C--N 1.31 -1.142 0 CA-C-N 112.971 -1.922 . . . . 0.0 110.061 -178.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.3 p -176.06 -170.16 0.36 Allowed 'General case' 0 N--CA 1.433 -1.305 0 CA-C-N 114.627 -1.169 . . . . 0.0 108.737 178.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.603 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -112.75 -167.71 17.23 Favored Glycine 0 N--CA 1.437 -1.239 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.858 -179.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.846 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 15.6 mtt180 -67.79 -44.61 76.98 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.537 0.684 . . . . 0.0 111.343 -171.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.551 HD21 HD21 ' A' ' 29' ' ' LEU . 3.9 tt -52.0 -46.26 64.84 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-N 113.89 -1.505 . . . . 0.0 110.098 -177.762 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.658 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.1 m-85 -68.2 -32.36 72.54 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 -175.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HA ' ' SD ' ' A' ' 58' ' ' MET . 49.4 mmtt -63.07 -33.87 76.38 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -176.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.536 ' HG2' HD23 ' A' ' 144' ' ' LEU . 5.1 tp10 -72.72 -36.63 67.83 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.671 -176.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -59.34 -38.18 79.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.767 173.164 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.574 ' HG3' ' O ' ' A' ' 54' ' ' TYR . 42.6 mtt -57.34 -33.26 67.56 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-O 121.688 0.756 . . . . 0.0 109.82 177.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 59.3 mttt -71.18 -13.0 61.78 Favored 'General case' 0 C--N 1.312 -1.042 0 CA-C-N 114.862 -1.063 . . . . 0.0 111.175 -179.176 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.686 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.9 m-30 -83.12 -14.34 53.8 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.881 0.848 . . . . 0.0 109.635 175.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.528 ' O ' HG13 ' A' ' 65' ' ' ILE . 20.1 t70 -67.9 -38.92 83.57 Favored 'General case' 0 C--N 1.312 -1.025 0 N-CA-C 107.147 -1.427 . . . . 0.0 107.147 172.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.742 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.7 t70 -76.6 -41.39 46.33 Favored 'General case' 0 C--N 1.309 -1.195 0 CA-C-N 112.048 -2.342 . . . . 0.0 110.532 -175.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -62.46 -31.87 53.3 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.174 0 CA-C-N 114.149 -1.387 . . . . 0.0 109.889 179.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 100' ' ' ALA . . . -72.96 -44.97 60.5 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 113.962 -1.472 . . . . 0.0 111.212 173.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.742 HD12 ' HA ' ' A' ' 62' ' ' ASP . 48.2 mt -56.62 -35.32 44.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-O 121.694 0.759 . . . . 0.0 110.411 172.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.4 ttm180 -66.98 -44.71 79.72 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.064 -0.971 . . . . 0.0 110.794 175.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.551 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.6 OUTLIER -82.87 -69.73 0.61 Allowed 'General case' 0 N--CA 1.443 -0.782 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.687 -171.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -70.64 -42.4 70.9 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.092 -177.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 105.76 142.08 10.89 Favored Glycine 0 N--CA 1.43 -1.708 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.123 177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.444 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.3 tp -58.46 -44.78 89.64 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.063 0 CA-C-N 114.883 -0.658 . . . . 0.0 110.325 -174.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -58.33 -51.68 68.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-O 120.777 0.323 . . . . 0.0 111.459 -179.44 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.404 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 1.5 mmpt? -63.85 -42.96 97.47 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.415 179.425 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.686 HG12 HD13 ' A' ' 104' ' ' ILE . 31.3 mt -56.48 -47.16 82.19 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.578 177.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -53.26 -48.29 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.1 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -66.74 -39.64 88.0 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.596 0.712 . . . . 0.0 110.529 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.826 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.0 OUTLIER -71.51 -52.51 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.188 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.387 -175.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.991 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.0 p -51.62 -52.6 20.43 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.352 0 CA-C-O 121.751 0.786 . . . . 0.0 111.308 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' N ' HG13 ' A' ' 77' ' ' VAL . 39.0 mt-10 -60.75 -32.67 71.96 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.04 -1.437 . . . . 0.0 112.302 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.21 -52.15 64.93 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.94 174.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.826 ' HE3' HG23 ' A' ' 76' ' ' ILE . 9.6 mmt -48.53 -30.74 5.55 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.388 176.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.775 ' HB3' HG21 ' A' ' 117' ' ' ILE . 20.2 m -69.32 -21.72 63.82 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.963 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -91.51 2.92 56.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.583 178.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 75.12 29.32 60.69 Favored Glycine 0 N--CA 1.45 -0.371 0 CA-C-N 116.011 -0.54 . . . . 0.0 112.956 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -160.72 126.98 4.03 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 117.033 0.417 . . . . 0.0 111.025 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.404 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 28.1 p-80 -104.51 165.95 10.72 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 175.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.552 ' H ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -126.72 12.04 7.32 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -172.214 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' A' ' 76' ' ' ILE . 1.2 pp -161.29 157.74 2.37 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 122.317 0.247 . . . . 0.0 110.843 178.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -110.22 138.55 46.45 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.943 -0.392 . . . . 0.0 109.943 176.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 9.6 p90 -87.88 176.06 7.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.294 -172.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.1 p -80.68 155.96 26.54 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.444 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -142.88 -76.09 0.26 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.246 0.546 . . . . 0.0 110.414 -177.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 16.3 m -83.47 56.2 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.553 0.692 . . . . 0.0 111.7 -176.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -121.22 -73.83 0.63 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.794 -176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -142.06 150.1 40.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.628 -0.26 . . . . 0.0 110.772 178.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.5 ' HA ' HD23 ' A' ' 98' ' ' LEU . 51.4 tt0 -51.56 -31.02 22.83 Favored 'General case' 0 C--O 1.232 0.172 0 O-C-N 123.747 0.654 . . . . 0.0 111.205 176.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -56.77 -46.54 81.41 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.461 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 35.6 t -65.21 -34.51 78.55 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.703 -0.226 . . . . 0.0 111.319 175.224 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.543 HD12 ' ND2' ' A' ' 136' ' ' ASN . 4.3 mm? -56.45 -42.01 77.44 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 178.554 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.462 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -73.56 -39.04 64.99 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.864 0.364 . . . . 0.0 111.914 173.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.565 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -56.89 -40.48 76.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.347 -174.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.616 ' HA ' HG22 ' A' ' 104' ' ' ILE . 5.3 m -66.95 -21.62 65.97 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -178.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.07 -52.21 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.24 -0.584 . . . . 0.0 109.712 174.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.497 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.63 -39.33 95.36 Favored Glycine 0 C--N 1.335 0.489 0 C-N-CA 120.617 -0.801 . . . . 0.0 113.358 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.686 HD13 HG12 ' A' ' 73' ' ' ILE . 4.9 tp -59.96 -37.14 71.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 175.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 36.6 t -73.16 -28.57 62.3 Favored 'General case' 0 N--CA 1.443 -0.824 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.43 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -72.55 -37.96 68.11 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.254 -177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.447 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.3 OUTLIER -70.36 -30.13 66.98 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 121.601 0.715 . . . . 0.0 110.022 179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.991 ' HA ' HG23 ' A' ' 77' ' ' VAL . 31.7 mt -71.58 -50.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 115.046 -0.979 . . . . 0.0 111.151 178.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 9.8 t -63.74 -35.9 82.1 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.02 -176.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.558 ' O ' HG21 ' A' ' 41' ' ' ILE . 9.8 pt-20 -68.75 -39.05 80.49 Favored 'General case' 0 C--N 1.332 -0.164 0 O-C-N 122.165 -0.334 . . . . 0.0 111.82 -176.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 -56.65 -30.77 63.7 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.404 0.621 . . . . 0.0 111.053 -175.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.439 ' CZ3' ' HB3' ' A' ' 121' ' ' ARG . 51.7 m0 -72.39 -19.31 61.63 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -174.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -71.21 -45.42 49.1 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.083 -0.579 . . . . 0.0 114.205 -169.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.524 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.0 m-85 -57.19 -59.1 5.6 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.238 0.519 . . . . 0.0 111.878 -170.577 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.548 ' HE2' HD11 ' A' ' 117' ' ' ILE . 19.8 pttm -109.61 22.08 16.18 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -177.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? 60.09 69.31 0.71 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.912 172.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.775 HG21 ' HB3' ' A' ' 81' ' ' SER . 5.6 mt -104.53 156.06 5.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.731 -176.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 23.3 t 53.97 88.52 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.353 0 O-C-N 124.104 0.877 . . . . 0.0 112.018 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -83.18 9.2 11.09 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 26.4 p -99.45 16.16 24.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.43 -177.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.439 ' HB3' ' CZ3' ' A' ' 112' ' ' TRP . 26.0 ptt-85 -80.02 39.15 0.43 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.24 0.543 . . . . 0.0 112.187 -175.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 79.6 m-85 -113.7 39.23 2.72 Favored 'General case' 0 C--N 1.32 -0.695 0 N-CA-C 108.844 -0.799 . . . . 0.0 108.844 175.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 49.3 tt0 -61.45 -63.1 1.39 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.572 -1.195 . . . . 0.0 111.72 -176.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.422 ' HB2' ' HA ' ' A' ' 129' ' ' THR . 25.8 m -152.6 124.3 7.85 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.558 0.218 . . . . 0.0 110.482 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.433 ' HA ' ' OD1' ' A' ' 31' ' ' ASP . 7.2 mp -97.85 61.05 1.54 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.148 0.499 . . . . 0.0 109.865 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -158.39 -161.27 10.89 Favored Glycine 0 N--CA 1.448 -0.531 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.588 -177.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.484 ' HB3' ' HA ' ' A' ' 27' ' ' ILE . 5.4 p30 -82.46 -46.15 13.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.87 0.335 . . . . 0.0 110.55 -178.359 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.513 ' HA ' ' O ' ' A' ' 132' ' ' MET . 31.0 mt -79.54 73.03 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.422 ' HA ' ' HB2' ' A' ' 124' ' ' SER . 13.6 p -75.87 -70.26 0.45 Allowed 'General case' 0 N--CA 1.446 -0.651 0 C-N-CA 119.317 -0.953 . . . . 0.0 110.61 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -99.41 -72.21 0.67 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.497 0.665 . . . . 0.0 112.095 166.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.492 HD22 ' CG2' ' A' ' 101' ' ' THR . 0.8 OUTLIER -100.7 -39.56 7.79 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 115.166 1.543 . . . . 0.0 115.166 -169.358 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.801 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.2 ppp? -83.44 163.04 20.78 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 120.162 -0.615 . . . . 0.0 112.402 -156.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.433 ' OG1' ' HB3' ' A' ' 135' ' ' ASP . 1.5 p -142.29 165.8 26.44 Favored 'General case' 0 CA--C 1.511 -0.544 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.97 -169.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.946 ' HA ' HD13 ' A' ' 137' ' ' ILE . 2.0 p-10 -50.01 -27.46 5.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.909 171.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . 0.433 ' HB3' ' OG1' ' A' ' 133' ' ' THR . 8.4 t70 -69.64 -32.5 71.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.002 -0.74 . . . . 0.0 109.002 178.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.801 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 12.7 t-20 -79.07 -28.01 43.08 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.327 -1.306 . . . . 0.0 108.256 -175.079 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.946 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.3 mp -54.06 -39.25 40.77 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.772 175.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.555 ' O ' HD13 ' A' ' 142' ' ' LEU . 28.2 m-80 -67.04 -41.35 86.68 Favored 'General case' 0 N--CA 1.438 -1.026 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.771 179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.585 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.3 mp -61.16 -41.6 90.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.844 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 176.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.573 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.56 -51.81 60.91 Favored 'General case' 0 N--CA 1.424 -1.766 0 CA-C-N 114.109 -1.405 . . . . 0.0 110.845 -175.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.686 ' HA ' HD11 ' A' ' 20' ' ' ILE . 28.5 mm -51.52 -42.9 30.35 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.444 0 CA-C-O 121.271 0.558 . . . . 0.0 109.959 175.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.555 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -66.82 -49.33 66.13 Favored 'General case' 0 C--N 1.31 -1.109 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.651 -175.38 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.462 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 69.9 t80 -57.57 -47.22 82.68 Favored 'General case' 0 CA--C 1.502 -0.878 0 CA-C-O 121.942 0.877 . . . . 0.0 110.534 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.636 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 52.7 mt -66.1 -41.35 90.74 Favored 'General case' 0 C--N 1.303 -1.44 0 CA-C-N 113.846 -1.524 . . . . 0.0 110.652 -177.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.497 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.5 mt-10 -53.47 -25.3 15.8 Favored 'General case' 0 N--CA 1.471 0.612 0 O-C-N 124.017 0.823 . . . . 0.0 112.465 -177.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.446 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 28.1 mmtp -48.66 -37.14 17.61 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.196 171.534 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.446 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.38 -10.44 7.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 122.198 0.999 . . . . 0.0 110.205 179.329 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.758 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -101.14 178.83 4.55 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 113.601 -1.636 . . . . 0.0 110.522 179.29 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.497 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.9 t-20 . . . . . 0 C--O 1.251 1.15 0 CA-C-O 117.917 -1.04 . . . . 0.0 110.149 -174.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.0 mtp . . . . . 0 N--CA 1.485 1.288 0 CA-C-O 120.755 0.312 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.2 -25.94 11.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.133 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 3.5 m -79.12 88.2 4.85 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.149 0.499 . . . . 0.0 109.795 177.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.583 ' HB3' ' OE1' ' A' ' 8' ' ' GLU . 19.7 mtpp -93.36 117.57 30.24 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.719 -173.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 6' ' ' ASP . 3.8 tt -167.42 108.43 0.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.009 176.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.573 ' OD1' ' HE3' ' A' ' 45' ' ' LYS . 18.5 t70 77.68 135.85 0.06 Allowed 'General case' 0 N--CA 1.474 0.746 0 O-C-N 123.868 0.73 . . . . 0.0 112.77 173.084 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 21.8 t80 61.65 31.25 18.71 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-N 115.048 -0.978 . . . . 0.0 110.805 178.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' OE1' ' HB3' ' A' ' 4' ' ' LYS . 14.0 mt-10 -87.91 -76.94 0.36 Allowed 'General case' 0 CA--C 1.514 -0.431 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.735 -177.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.442 ' O ' HG12 ' A' ' 11' ' ' VAL . 3.3 m-20 -81.66 30.83 0.36 Allowed 'General case' 0 N--CA 1.443 -0.778 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.291 177.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.416 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . -64.63 71.55 0.03 OUTLIER 'General case' 0 N--CA 1.445 -0.701 0 CA-C-O 123.003 1.382 . . . . 0.0 110.752 169.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.5 OUTLIER -62.22 -44.27 98.91 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.102 0 CA-C-N 111.729 -2.487 . . . . 0.0 111.63 179.561 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -51.92 138.47 24.4 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.508 178.589 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -107.46 -42.22 4.86 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.971 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.685 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -82.45 -0.84 48.15 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.122 -179.007 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.614 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -44.62 -62.49 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.009 168.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.578 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.9 t70 -100.47 20.85 14.15 Favored 'General case' 0 C--N 1.305 -1.345 0 CA-C-O 121.553 0.692 . . . . 0.0 109.657 -174.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.685 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 18.0 t70 -53.5 -36.35 61.63 Favored 'General case' 0 CA--C 1.515 -0.381 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.802 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.785 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 15.1 t70 73.93 -21.8 0.26 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 114.212 -1.358 . . . . 0.0 111.824 174.135 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' C ' HD13 ' A' ' 148' ' ' LEU . 20.8 pttp -122.61 172.34 8.47 Favored 'General case' 0 N--CA 1.423 -1.804 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.466 -175.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.677 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.5 tp -76.22 133.77 30.39 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.676 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.513 178.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 6.6 m -99.21 -169.3 1.74 Allowed 'General case' 0 N--CA 1.426 -1.653 0 CA-C-O 121.7 0.762 . . . . 0.0 111.922 -174.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.7 t -72.42 161.89 30.2 Favored 'General case' 0 C--N 1.313 -0.994 0 CA-C-N 114.428 -1.26 . . . . 0.0 111.003 174.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.522 ' O ' HG21 ' A' ' 137' ' ' ILE . 46.1 mtm180 -56.3 -40.52 74.47 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 122.241 1.02 . . . . 0.0 109.112 168.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.07 -6.2 44.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.107 -1.406 . . . . 0.0 110.629 -175.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.611 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.0 t -106.22 -13.84 15.3 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.43 -170.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.557 ' HB ' ' CG1' ' A' ' 137' ' ' ILE . 18.6 mm -89.22 -5.99 10.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 107.579 -1.267 . . . . 0.0 107.579 176.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 40.7 mm -72.31 -54.89 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.996 0 CA-C-N 113.163 -1.835 . . . . 0.0 109.584 177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.506 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.3 m-20 -71.72 -28.15 63.49 Favored 'General case' 0 CA--C 1.505 -0.779 0 CA-C-N 113.985 -1.462 . . . . 0.0 108.577 178.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 25' ' ' SER . 24.2 tp -61.3 -46.27 90.99 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-N 112.574 -2.103 . . . . 0.0 112.169 -169.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.448 HD13 ' HA ' ' A' ' 30' ' ' ILE . 1.5 mm -59.75 -28.99 41.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.127 -177.215 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -74.79 -43.33 55.31 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 175.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.79 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.9 mm-40 -58.63 -51.46 69.81 Favored 'General case' 0 C--O 1.22 -0.491 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.929 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.16 -56.82 14.94 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-O 120.763 0.316 . . . . 0.0 111.109 -176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 36.1 mm -51.54 -41.4 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.534 177.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.433 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 53.7 m -70.98 -36.59 72.58 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.923 0.392 . . . . 0.0 110.737 176.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.605 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.6 t90 -67.82 -37.71 82.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.64 -0.254 . . . . 0.0 111.117 -179.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 9.1 mmm180 -59.09 -23.17 61.85 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.193 0.52 . . . . 0.0 109.653 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.7 t-20 -86.53 -42.36 13.59 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 178.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 36' ' ' TRP . 0.3 OUTLIER -54.25 -32.85 57.11 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.529 -178.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.963 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 17.2 t -70.92 -20.22 21.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 122.146 0.974 . . . . 0.0 109.835 -177.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.516 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.9 mm -95.64 -61.38 2.18 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 114.482 -1.236 . . . . 0.0 112.684 -174.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -51.74 -52.28 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.277 -179.032 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.458 ' N ' ' CD1' ' A' ' 43' ' ' PHE . 1.8 m-85 -87.38 -9.21 55.39 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 114.817 -1.083 . . . . 0.0 109.848 -176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.5 t-20 54.84 49.33 18.08 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 114.162 -1.381 . . . . 0.0 109.969 -172.065 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.963 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 15.9 mtpt -67.7 -167.13 0.06 Allowed 'General case' 0 N--CA 1.435 -1.194 0 CA-C-N 114.52 -1.218 . . . . 0.0 110.663 175.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.587 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 5.1 t0 -104.44 139.81 38.84 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.811 176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 47' ' ' ILE . 2.5 tp -71.81 -28.04 29.45 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.232 0 CA-C-N 114.82 -1.082 . . . . 0.0 109.964 173.458 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.1 p -84.45 -12.74 53.79 Favored 'General case' 0 C--N 1.31 -1.123 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.939 -177.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.587 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 30.8 t -76.0 81.7 2.87 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 113.994 -1.457 . . . . 0.0 111.163 178.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.644 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 34.9 t 175.33 -173.43 0.08 Allowed 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 123.912 0.885 . . . . 0.0 109.014 175.099 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.652 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -88.94 -146.71 13.45 Favored Glycine 0 C--O 1.217 -0.963 0 CA-C-O 121.847 0.693 . . . . 0.0 114.724 -170.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.785 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 13.4 mmt180 -84.45 -45.22 12.91 Favored 'General case' 0 C--N 1.312 -1.057 0 C-N-CA 123.493 0.717 . . . . 0.0 111.516 171.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.611 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -49.08 -48.98 43.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.407 -1.27 . . . . 0.0 112.626 -170.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.7 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -65.77 -37.43 86.3 Favored 'General case' 0 CA--C 1.507 -0.686 0 N-CA-C 114.044 1.127 . . . . 0.0 114.044 -170.42 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 58.3 mmtt -45.13 -39.44 6.04 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-N 114.632 -1.167 . . . . 0.0 112.203 178.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 144' ' ' LEU . 11.2 tp10 -74.41 -34.42 63.26 Favored 'General case' 0 C--N 1.308 -1.225 0 CA-C-O 121.218 0.532 . . . . 0.0 110.33 -174.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -58.18 -37.31 74.49 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.401 -0.818 . . . . 0.0 111.208 172.199 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.415 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 50.1 mtt -56.0 -32.54 64.05 Favored 'General case' 0 CA--C 1.509 -0.626 0 CA-C-O 121.841 0.829 . . . . 0.0 110.267 176.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.413 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 52.8 mttt -75.16 -9.23 58.35 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.852 -176.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.688 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.9 m-30 -86.34 -17.1 35.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-O 122.09 0.948 . . . . 0.0 109.156 172.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.634 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 9.5 t70 -69.34 -38.1 77.99 Favored 'General case' 0 C--N 1.313 -1.015 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 173.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.712 ' HA ' HD12 ' A' ' 65' ' ' ILE . 25.5 t70 -78.86 -39.74 34.44 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 112.127 -2.306 . . . . 0.0 110.377 -174.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.688 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -62.45 -33.41 59.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.719 179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.32 -43.05 61.58 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.315 -1.312 . . . . 0.0 111.105 174.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.712 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.7 mt -58.08 -35.57 53.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-O 121.704 0.764 . . . . 0.0 109.966 172.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -69.76 -37.56 76.47 Favored 'General case' 0 N--CA 1.438 -1.034 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.473 177.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' CD2' ' HG2' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -89.61 -72.51 0.55 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 115.123 -0.944 . . . . 0.0 111.764 -172.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 m-85 -67.58 -41.25 84.44 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.441 -177.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.566 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 109.76 142.33 9.48 Favored Glycine 0 N--CA 1.427 -1.959 0 CA-C-N 114.794 -1.094 . . . . 0.0 111.889 174.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 11.0 tp -56.34 -44.82 80.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.114 0 O-C-N 124.4 0.706 . . . . 0.0 109.777 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 12.4 t70 -56.68 -52.74 63.77 Favored 'General case' 0 CA--C 1.509 -0.631 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.344 178.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -62.44 -42.9 99.8 Favored 'General case' 0 CA--C 1.501 -0.906 0 CA-C-N 115.454 -0.794 . . . . 0.0 110.425 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.793 HG12 HD13 ' A' ' 104' ' ' ILE . 36.5 mt -60.47 -46.31 95.54 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.663 179.198 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -53.08 -48.71 67.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.827 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 20.5 mt-10 -70.92 -34.69 71.76 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.805 -177.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.683 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.2 mp -70.46 -52.8 26.26 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.135 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.779 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.678 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.5 p -54.32 -51.14 51.38 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.726 0.774 . . . . 0.0 111.691 -176.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.457 ' N ' HG13 ' A' ' 77' ' ' VAL . 24.2 mt-10 -56.62 -40.6 75.64 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-N 114.453 -1.249 . . . . 0.0 112.078 177.316 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.0 -50.67 73.22 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.874 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.874 ' HE3' HD11 ' A' ' 87' ' ' ILE . 10.2 mmt -48.54 -31.87 7.15 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.054 175.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.555 ' HB3' HG21 ' A' ' 117' ' ' ILE . 22.1 m -76.81 -9.52 58.74 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.882 -171.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -103.47 -1.35 28.59 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.029 176.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.96 8.76 86.22 Favored Glycine 0 N--CA 1.449 -0.442 0 CA-C-N 115.755 -0.657 . . . . 0.0 112.779 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -136.35 127.47 27.97 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.408 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 8.5 p-80 -131.17 179.86 5.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.366 0.603 . . . . 0.0 112.062 -177.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.416 ' HE1' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -146.52 71.54 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.261 -179.573 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.874 HD11 ' HE3' ' A' ' 80' ' ' MET . 43.7 mm -94.87 131.61 41.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.872 -170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -93.01 178.78 5.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.615 175.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -105.56 152.04 23.57 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.811 0.339 . . . . 0.0 110.678 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 16.8 p -77.1 100.74 5.82 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.264 176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -55.26 -60.81 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.507 -179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.428 HG22 ' H ' ' A' ' 92' ' ' VAL . 9.2 m -84.06 112.09 20.91 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.907 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.891 175.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -79.65 50.84 1.19 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.426 -0.806 . . . . 0.0 111.947 -175.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.483 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 0.3 OUTLIER -83.72 154.2 23.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.619 -177.239 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.529 ' HA ' HD12 ' A' ' 98' ' ' LEU . 43.6 tt0 -50.8 -39.07 51.9 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.07 0.462 . . . . 0.0 111.244 174.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.452 ' HG2' ' CD2' ' A' ' 67' ' ' TYR . 38.4 tt0 -60.73 -36.31 78.54 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.662 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.7 m -72.7 -36.89 67.95 Favored 'General case' 0 N--CA 1.437 -1.113 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.529 HD12 ' HA ' ' A' ' 95' ' ' GLN . 82.2 mt -61.22 -51.89 67.08 Favored 'General case' 0 CA--C 1.513 -0.452 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.62 -179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.56 -38.35 89.74 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.154 0.502 . . . . 0.0 110.706 177.158 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.61 -32.09 66.88 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.737 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.6 m -65.84 -33.11 75.09 Favored 'General case' 0 N--CA 1.442 -0.831 0 CA-C-O 120.835 0.35 . . . . 0.0 110.922 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.404 ' N ' HD12 ' A' ' 102' ' ' ILE . 2.1 mp -71.25 -53.91 19.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.397 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.634 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -64.81 -39.87 96.92 Favored Glycine 0 C--N 1.337 0.587 0 C-N-CA 120.731 -0.747 . . . . 0.0 113.911 -176.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.793 HD13 HG12 ' A' ' 73' ' ' ILE . 5.7 tp -59.11 -37.47 68.43 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 47.5 t -72.56 -30.51 64.49 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.206 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.527 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.71 -38.57 73.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 122.286 0.234 . . . . 0.0 110.54 -175.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.509 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.2 OUTLIER -61.06 -30.67 70.47 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 121.552 0.692 . . . . 0.0 110.333 -179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.678 ' HA ' HG23 ' A' ' 77' ' ' VAL . 38.4 mt -77.38 -51.09 19.09 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 CA-C-N 114.534 -1.212 . . . . 0.0 111.268 -178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.519 HG22 ' HA ' ' A' ' 106' ' ' ALA . 9.8 t -60.98 -38.82 87.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.811 -176.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 14.5 pt-20 -70.95 -39.41 72.61 Favored 'General case' 0 N--CA 1.455 -0.207 0 O-C-N 122.151 -0.343 . . . . 0.0 111.183 -178.304 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.9 t60 -58.9 -28.01 65.77 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.22 0.533 . . . . 0.0 110.673 -177.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.53 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 43.9 m0 -77.26 -20.95 54.41 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -172.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.468 ' HA3' ' HB ' ' A' ' 41' ' ' ILE . . . -63.67 -40.87 99.04 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 114.213 0.445 . . . . 0.0 114.213 -169.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.516 ' CE1' HG23 ' A' ' 41' ' ' ILE . 17.1 m-85 -55.56 -57.07 13.46 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.306 0.553 . . . . 0.0 112.106 -169.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' A' ' 117' ' ' ILE . 60.0 pttt -111.45 18.56 19.04 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.68 179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 60.5 mttp 59.8 59.55 2.46 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.65 0.738 . . . . 0.0 110.196 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.555 HG21 ' HB3' ' A' ' 81' ' ' SER . 16.4 mt -76.7 150.22 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.924 -172.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.423 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 33.8 t 168.85 -66.93 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 175.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 45.01 40.29 4.41 Favored 'General case' 0 C--O 1.233 0.22 0 O-C-N 124.372 1.045 . . . . 0.0 110.951 173.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 10.2 p -95.99 114.37 26.08 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.254 -174.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -65.78 -35.98 82.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.897 174.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -115.86 103.8 10.99 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.276 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . 0.584 ' HB3' ' HG ' ' A' ' 125' ' ' LEU . 1.7 mp0 -69.32 107.76 3.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.542 -173.31 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 22.9 t -86.88 67.24 9.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.187 0.518 . . . . 0.0 109.709 175.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.584 ' HG ' ' HB3' ' A' ' 123' ' ' GLN . 2.2 pp -141.96 -176.16 4.69 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.974 -177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 145.29 -70.1 0.38 Allowed Glycine 0 N--CA 1.444 -0.817 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.707 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -118.91 123.33 44.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.737 0.303 . . . . 0.0 110.435 -176.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.3 tp -98.15 -45.51 12.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.925 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 7.6 p -61.06 -26.56 67.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.946 178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -69.49 -1.55 8.88 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.18 -12.16 59.98 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.922 0.868 . . . . 0.0 109.014 175.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.778 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 3.6 ppp? -143.07 -169.47 3.04 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.31 -1.314 . . . . 0.0 108.122 176.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.541 ' O ' HD12 ' A' ' 137' ' ' ILE . 44.4 p -139.71 155.4 47.37 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.585 -172.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.935 ' HA ' HD13 ' A' ' 137' ' ' ILE . 4.6 t70 -48.3 -32.66 7.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.443 0.639 . . . . 0.0 110.693 166.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -66.48 -33.26 75.3 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.341 177.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.778 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 9.4 t-20 -79.14 -27.88 42.81 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 114.413 -1.267 . . . . 0.0 108.06 -174.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.935 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -57.1 -38.66 61.91 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.463 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.703 177.69 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.556 ' O ' HD13 ' A' ' 142' ' ' LEU . 25.2 m-80 -65.38 -42.74 92.35 Favored 'General case' 0 N--CA 1.437 -1.078 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.465 178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.463 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.5 mp -62.24 -42.09 93.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 177.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.676 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.18 -52.75 61.12 Favored 'General case' 0 N--CA 1.428 -1.567 0 CA-C-N 114.573 -1.194 . . . . 0.0 111.059 -176.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.58 ' HA ' HD11 ' A' ' 20' ' ' ILE . 27.9 mm -51.1 -43.46 26.86 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.437 0 CA-C-O 121.346 0.593 . . . . 0.0 109.934 175.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.556 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.18 -48.79 66.9 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.939 -1.028 . . . . 0.0 111.623 -175.657 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.423 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 57.1 t80 -57.66 -47.49 82.13 Favored 'General case' 0 CA--C 1.506 -0.719 0 CA-C-O 122.018 0.914 . . . . 0.0 110.351 178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.676 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 57.7 mt -65.65 -41.71 92.23 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-N 113.997 -1.456 . . . . 0.0 110.639 -179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.443 ' HG3' HG12 ' A' ' 20' ' ' ILE . 12.9 mt-10 -53.7 -24.82 15.84 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 124.197 0.935 . . . . 0.0 112.639 -176.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.633 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 18.8 mmmt -48.91 -40.74 31.1 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-N 115.149 -0.932 . . . . 0.0 111.353 170.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.633 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -114.71 -27.95 7.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 122.343 1.068 . . . . 0.0 109.762 178.785 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.677 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -84.42 176.24 8.8 Favored 'General case' 0 C--N 1.307 -1.274 0 CA-C-N 113.228 -1.805 . . . . 0.0 110.015 178.055 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.587 ' HB2' HG21 ' A' ' 20' ' ' ILE . 52.9 t30 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 119.005 -0.521 . . . . 0.0 109.939 -168.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 mtm . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.67 167.37 0.22 Allowed 'General case' 0 C--O 1.236 0.345 0 O-C-N 123.858 0.724 . . . . 0.0 111.586 -177.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.2 m 58.97 53.6 5.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.79 0.805 . . . . 0.0 110.535 -178.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 35.7 ttmt -95.69 -26.11 15.84 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -110.8 98.45 7.59 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.097 -0.956 . . . . 0.0 108.616 172.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.433 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 2.0 p30 -116.14 -100.97 0.43 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -173.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.694 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 3.1 p90 -118.93 78.69 1.3 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.444 0.64 . . . . 0.0 111.705 -174.684 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.466 ' C ' ' H ' ' A' ' 10' ' ' ALA . 9.8 mt-10 -87.35 -48.03 8.32 Favored 'General case' 0 CA--C 1.509 -0.597 0 CA-C-O 121.926 0.87 . . . . 0.0 109.194 178.589 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.434 ' O ' HG12 ' A' ' 11' ' ' VAL . 2.6 m-20 -77.48 27.48 0.16 Allowed 'General case' 0 N--CA 1.444 -0.775 0 CA-C-N 114.169 -1.378 . . . . 0.0 110.181 176.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' HB2' ' HB2' ' A' ' 7' ' ' TYR . . . -66.92 78.16 0.12 Allowed 'General case' 0 N--CA 1.444 -0.744 0 CA-C-O 122.844 1.307 . . . . 0.0 110.669 168.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.3 OUTLIER -71.73 -41.79 70.62 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.851 0 CA-C-N 112.075 -2.33 . . . . 0.0 112.371 -178.384 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.658 ' HB2' ' HB ' ' A' ' 15' ' ' VAL . 0.0 OUTLIER -51.72 145.96 8.62 Favored 'General case' 0 N--CA 1.44 -0.938 0 CA-C-O 121.695 0.759 . . . . 0.0 112.642 176.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 41.4 t80 -107.76 -45.97 3.9 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 114.535 -1.211 . . . . 0.0 110.389 -176.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.646 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -82.86 -3.82 57.32 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 115.298 -0.864 . . . . 0.0 109.965 -177.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.672 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.9 p -41.87 -49.27 0.91 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.415 0 CA-C-N 115.483 -0.781 . . . . 0.0 112.055 173.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.624 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 37.3 t70 -114.84 19.82 15.62 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 123.867 0.867 . . . . 0.0 110.588 -175.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.646 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 16.9 t70 -53.34 -35.35 60.13 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.661 -0.7 . . . . 0.0 112.293 -173.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.737 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 0.9 OUTLIER 73.09 -28.95 0.2 Allowed 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 115.356 -0.838 . . . . 0.0 111.754 177.73 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' C ' HD13 ' A' ' 148' ' ' LEU . 54.5 pttt -113.69 171.53 7.52 Favored 'General case' 0 N--CA 1.424 -1.737 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.45 -174.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.66 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 6.6 tp -80.99 155.93 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.781 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 176.169 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 4.0 m -123.6 -168.15 1.73 Allowed 'General case' 0 N--CA 1.42 -1.962 0 CA-C-N 118.384 0.538 . . . . 0.0 110.097 -170.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.7 t -67.05 157.12 34.3 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.93 171.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' O ' HG21 ' A' ' 137' ' ' ILE . 98.6 mtt180 -57.24 -37.72 72.74 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 122.09 0.947 . . . . 0.0 109.46 170.138 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -76.53 -2.36 31.93 Favored 'General case' 0 C--N 1.312 -1.026 0 CA-C-N 114.57 -1.196 . . . . 0.0 110.194 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 16.5 t -103.31 -10.26 18.83 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.828 -173.158 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.512 ' HA ' ' HB3' ' A' ' 29' ' ' LEU . 22.0 mm -88.05 -7.67 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 107.37 -1.344 . . . . 0.0 107.37 175.427 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.0 mm -70.78 -55.62 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 CA-C-N 112.845 -1.979 . . . . 0.0 109.967 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -71.81 -36.27 70.21 Favored 'General case' 0 CA--C 1.501 -0.932 0 CA-C-N 114.637 -1.165 . . . . 0.0 108.084 178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 53' ' ' LEU . 20.1 tp -50.7 -52.63 38.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-N 112.501 -2.136 . . . . 0.0 113.757 -177.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.703 HG13 ' SD ' ' A' ' 132' ' ' MET . 2.5 mm -61.37 -28.76 44.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.307 0.575 . . . . 0.0 110.458 -177.369 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -75.41 -44.14 46.18 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.331 -0.85 . . . . 0.0 109.259 175.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.524 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.6 OUTLIER -58.41 -50.58 73.17 Favored 'General case' 0 C--N 1.343 0.319 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 176.602 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -61.73 -58.0 9.72 Favored 'General case' 0 CA--C 1.507 -0.688 0 CA-C-O 120.946 0.403 . . . . 0.0 111.203 -169.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.673 HG23 HG21 ' A' ' 109' ' ' THR . 43.3 mm -48.2 -42.02 10.78 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.695 175.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 28.7 m -69.31 -35.67 76.22 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.117 0.484 . . . . 0.0 110.751 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.647 ' O ' HG23 ' A' ' 40' ' ' VAL . 64.9 t90 -67.22 -39.94 86.31 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.625 -179.15 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.515 HH21 ' CD ' ' A' ' 110' ' ' GLU . 38.8 mmm-85 -54.55 -27.41 38.4 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 123.605 0.566 . . . . 0.0 110.333 176.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.491 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.1 t-20 -85.73 -44.4 12.56 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 -178.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.446 ' HA ' HG23 ' A' ' 42' ' ' VAL . 5.6 m-70 -54.46 -35.1 62.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 114.968 -1.014 . . . . 0.0 112.244 179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.762 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 18.8 t -60.08 -30.95 46.78 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.466 0 CA-C-O 121.754 0.787 . . . . 0.0 110.522 176.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 110' ' ' GLU . 27.1 mm -84.39 -62.67 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.306 -1.3 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.31 -174.12 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.446 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -47.98 -50.33 10.37 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 CA-C-N 114.639 -1.164 . . . . 0.0 111.749 -178.194 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.604 ' HB2' ' HG3' ' A' ' 45' ' ' LYS . 2.8 m-85 -90.67 -8.37 50.15 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.743 -1.117 . . . . 0.0 110.704 -175.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 54.78 52.27 12.36 Favored 'General case' 0 N--CA 1.445 -0.682 0 CA-C-N 114.713 -1.13 . . . . 0.0 110.19 -173.153 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.762 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 96.2 mttt -76.22 -145.37 0.02 OUTLIER 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 114.558 -1.201 . . . . 0.0 108.883 177.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' HB2' ' HB3' ' A' ' 49' ' ' SER . 10.7 m-20 -134.85 134.47 40.81 Favored 'General case' 0 C--N 1.31 -1.15 0 CA-C-O 121.147 0.498 . . . . 0.0 110.602 -178.655 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.459 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.3 tp -78.64 -31.56 15.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.681 -179.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 43.2 p -75.79 -17.18 59.96 Favored 'General case' 0 C--N 1.309 -1.167 0 CA-C-N 114.587 -1.188 . . . . 0.0 108.587 -178.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.514 ' HB3' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -91.19 82.11 5.52 Favored 'General case' 0 C--N 1.309 -1.16 0 CA-C-N 113.091 -1.868 . . . . 0.0 110.836 -175.429 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.3 p -165.94 -162.07 0.53 Allowed 'General case' 0 N--CA 1.432 -1.369 0 CA-C-N 114.631 -1.168 . . . . 0.0 108.342 174.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.624 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -99.88 -173.46 30.47 Favored Glycine 0 N--CA 1.429 -1.831 0 C-N-CA 120.938 -0.649 . . . . 0.0 111.769 -178.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.737 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 57.1 mtp180 -71.46 -42.55 68.02 Favored 'General case' 0 C--N 1.308 -1.206 0 CA-C-O 121.738 0.78 . . . . 0.0 111.093 -174.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.815 HD21 HD21 ' A' ' 29' ' ' LEU . 5.1 tt -50.88 -43.07 59.48 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 113.608 -1.633 . . . . 0.0 110.409 -179.263 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.672 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.8 m-30 -73.59 -40.47 63.84 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.991 -173.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 51' ' ' GLY . 24.5 mmtp -50.65 -33.95 24.43 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.803 0.335 . . . . 0.0 111.868 177.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.659 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.7 tp10 -72.04 -40.7 68.22 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.845 -178.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.565 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.5 OUTLIER -56.51 -37.03 69.86 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.181 172.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.451 ' SD ' ' HA ' ' A' ' 55' ' ' LYS . 50.8 mtt -57.41 -33.05 67.48 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-O 121.308 0.575 . . . . 0.0 110.292 178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.43 ' HE3' ' HA ' ' A' ' 56' ' ' GLU . 59.5 mttt -70.27 -17.48 63.11 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.908 -178.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.612 ' O ' HG12 ' A' ' 63' ' ' VAL . 8.0 m-30 -77.01 -15.57 59.58 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.728 0.775 . . . . 0.0 109.764 178.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.626 ' O ' HG13 ' A' ' 65' ' ' ILE . 8.3 t70 -69.47 -39.53 77.64 Favored 'General case' 0 C--N 1.315 -0.896 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 172.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.804 ' HA ' HD12 ' A' ' 65' ' ' ILE . 26.5 t70 -78.9 -39.91 33.64 Favored 'General case' 0 C--N 1.312 -1.052 0 CA-C-N 112.533 -2.121 . . . . 0.0 110.644 -172.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.612 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.6 p -60.4 -35.22 61.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.237 0 CA-C-N 114.249 -1.341 . . . . 0.0 109.438 176.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.34 -41.13 63.85 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-N 114.283 -1.326 . . . . 0.0 110.929 174.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.804 HD12 ' HA ' ' A' ' 62' ' ' ASP . 69.6 mt -56.62 -36.33 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 CA-C-O 121.172 0.511 . . . . 0.0 111.041 172.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.3 ttt-85 -72.18 -48.11 45.7 Favored 'General case' 0 N--CA 1.443 -0.791 0 CA-C-O 121.424 0.63 . . . . 0.0 110.427 174.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.452 ' OH ' ' HB3' ' A' ' 91' ' ' LYS . 0.9 OUTLIER -68.44 -72.21 0.19 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.232 -0.895 . . . . 0.0 111.766 -174.411 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.7 m-85 -75.63 -39.53 57.67 Favored 'General case' 0 C--N 1.309 -1.174 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.099 -176.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.575 ' HA2' ' O ' ' A' ' 65' ' ' ILE . . . 108.47 144.07 10.8 Favored Glycine 0 N--CA 1.428 -1.853 0 CA-C-N 115.058 -0.974 . . . . 0.0 112.059 174.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 10.6 tp -56.47 -43.45 77.92 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.06 0 O-C-N 124.295 0.644 . . . . 0.0 109.568 -178.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.522 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 3.9 t70 -56.54 -53.62 55.38 Favored 'General case' 0 CA--C 1.508 -0.64 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.371 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.767 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -64.21 -44.1 92.96 Favored 'General case' 0 CA--C 1.502 -0.874 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.409 -178.199 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.791 HG12 HD13 ' A' ' 104' ' ' ILE . 37.0 mt -58.57 -46.46 90.02 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.424 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.612 179.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -56.11 -45.88 79.32 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.214 177.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.522 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 23.3 mt-10 -72.67 -39.03 67.4 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.284 0.564 . . . . 0.0 110.543 -178.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.886 HG23 ' HE2' ' A' ' 80' ' ' MET . 1.1 mp -66.08 -52.58 46.78 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.067 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.873 -178.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.937 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.6 p -51.63 -50.33 31.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-O 122.088 0.947 . . . . 0.0 111.117 -179.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.458 ' N ' HG13 ' A' ' 77' ' ' VAL . 96.1 mt-10 -57.01 -41.95 79.45 Favored 'General case' 0 C--N 1.305 -1.36 0 CA-C-N 113.841 -1.527 . . . . 0.0 112.486 177.189 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.443 ' HB1' ' O ' ' A' ' 84' ' ' ASP . . . -59.65 -51.97 67.53 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 116.55 -0.296 . . . . 0.0 111.44 178.057 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.886 ' HE2' HG23 ' A' ' 76' ' ' ILE . 8.4 mmt -48.7 -28.75 3.78 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.199 0.523 . . . . 0.0 111.063 173.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.505 ' HB3' ' CG2' ' A' ' 117' ' ' ILE . 30.7 m -81.22 -16.9 51.37 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.757 -173.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -96.58 -18.5 19.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.833 177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.9 17.86 36.52 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 121.006 -0.616 . . . . 0.0 112.673 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.443 ' O ' ' HB1' ' A' ' 79' ' ' ALA . 22.8 t70 -140.14 116.85 10.89 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 110.107 -0.331 . . . . 0.0 110.107 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 18.1 p80 -136.9 -173.92 3.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.304 0.573 . . . . 0.0 111.851 -176.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' HE1' ' CD1' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -150.28 41.15 0.8 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.762 -178.71 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.669 HD11 HG12 ' A' ' 76' ' ' ILE . 44.4 mm -92.16 117.98 36.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.255 -177.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -171.9 147.01 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.19 177.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 90.9 t80 72.04 124.75 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.49 0 O-C-N 124.086 0.866 . . . . 0.0 112.556 178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.2 p -96.44 135.62 38.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.028 174.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.452 ' HB3' ' OH ' ' A' ' 67' ' ' TYR . 20.9 tptp -52.48 -77.36 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -173.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.408 HG22 ' OH ' ' A' ' 67' ' ' TYR . 30.0 m -96.41 -16.39 7.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.539 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 66.0 t60 51.99 64.86 1.68 Allowed 'General case' 0 CA--C 1.532 0.28 0 CA-C-O 121.619 0.723 . . . . 0.0 110.88 -178.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.479 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 38.2 t70 -122.11 -179.04 4.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.224 -0.898 . . . . 0.0 108.989 178.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.561 ' HA ' HD12 ' A' ' 98' ' ' LEU . 49.3 tt0 -53.36 -41.35 65.74 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.938 0.399 . . . . 0.0 110.751 177.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -53.79 -45.23 70.67 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.703 176.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.415 ' HG ' ' HE2' ' A' ' 67' ' ' TYR . 1.4 m -70.04 -37.05 75.47 Favored 'General case' 0 N--CA 1.437 -1.081 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.029 178.422 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 95' ' ' GLN . 85.7 mt -56.9 -54.59 44.79 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.615 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.466 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.3 m-30 -63.11 -40.96 99.16 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 121.104 0.478 . . . . 0.0 110.849 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.92 -33.76 69.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.912 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.51 HG22 ' CD1' ' A' ' 131' ' ' LEU . 27.0 m -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.938 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -71.32 -51.73 31.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . -64.91 -40.72 97.43 Favored Glycine 0 C--N 1.334 0.43 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.899 -175.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.791 HD13 HG12 ' A' ' 73' ' ' ILE . 5.5 tp -57.44 -44.86 85.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.529 ' HA ' HD12 ' A' ' 108' ' ' ILE . 95.7 m -72.02 -25.4 61.81 Favored 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.995 178.414 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.26 -40.56 74.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.088 0.47 . . . . 0.0 110.281 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.541 ' HA ' ' OE2' ' A' ' 110' ' ' GLU . 0.0 OUTLIER -71.6 -29.48 64.73 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.918 -177.612 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.937 ' HA ' HG23 ' A' ' 77' ' ' VAL . 43.7 mt -69.51 -50.32 51.89 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.825 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.205 177.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.673 HG21 HG23 ' A' ' 34' ' ' ILE . 15.4 t -66.39 -31.49 72.29 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.343 -174.071 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.541 ' OE2' ' HA ' ' A' ' 107' ' ' LYS . 19.2 pt-20 -72.31 -45.44 60.01 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 -174.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -55.59 -30.85 61.59 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 121.082 0.468 . . . . 0.0 111.301 -173.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.686 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.7 m0 -63.6 -18.64 64.12 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 -178.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.417 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -56.36 -49.73 66.85 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 114.302 0.481 . . . . 0.0 114.302 -172.54 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.413 ' CE2' HG23 ' A' ' 41' ' ' ILE . 30.3 m-85 -59.98 -62.96 1.49 Allowed 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 117.343 0.571 . . . . 0.0 112.513 -168.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.457 ' HG3' HG12 ' A' ' 117' ' ' ILE . 59.3 pttt -104.49 10.21 35.24 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.069 -0.652 . . . . 0.0 111.913 -177.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? 59.38 75.64 0.39 Allowed 'General case' 0 C--O 1.227 -0.096 0 CA-C-O 121.57 0.7 . . . . 0.0 109.39 -176.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.686 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.4 mt -89.23 158.61 2.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.155 -0.93 . . . . 0.0 110.429 -170.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 81' ' ' SER . 34.5 t 81.45 -58.49 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.164 0.915 . . . . 0.0 110.262 178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 54.49 37.18 27.34 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 121.098 0.475 . . . . 0.0 111.066 176.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 69.7 m -68.8 117.31 10.34 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.681 -0.69 . . . . 0.0 109.891 177.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -82.36 -18.27 42.66 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.16 -173.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -84.86 58.07 4.77 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.329 0.585 . . . . 0.0 110.921 178.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -99.88 62.88 1.17 Allowed 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 177.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 27.8 m -129.54 51.18 2.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.477 -178.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 5.3 mp -136.77 -29.37 0.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.909 -179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 95.38 -83.49 0.88 Allowed Glycine 0 N--CA 1.446 -0.661 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 -174.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 67.96 -176.41 0.2 Allowed 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 122.929 0.492 . . . . 0.0 109.798 178.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.422 HG23 HG13 ' A' ' 34' ' ' ILE . 47.4 mm 71.11 -68.96 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 C-N-CA 122.769 0.428 . . . . 0.0 110.7 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.1 m -64.46 -26.43 68.44 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 121.512 0.672 . . . . 0.0 110.088 174.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -81.84 -5.28 58.08 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.814 177.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.51 ' CD1' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -90.23 -8.93 49.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.628 0.727 . . . . 0.0 110.15 -176.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.703 ' SD ' HG13 ' A' ' 30' ' ' ILE . 22.0 ptm -129.55 178.5 6.43 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.06 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . . . . . . . . . 16.3 p -106.96 -174.25 2.49 Favored 'General case' 0 C--N 1.314 -0.935 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 179.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.798 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.2 OUTLIER -84.68 -28.2 26.54 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 104.837 -2.283 . . . . 0.0 104.837 178.584 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -73.47 -23.7 60.1 Favored 'General case' 0 CA--C 1.504 -0.81 0 CA-C-N 111.833 -2.44 . . . . 0.0 110.267 -175.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.585 ' HB3' ' HE2' ' A' ' 132' ' ' MET . 16.6 t-20 -75.41 -26.7 58.62 Favored 'General case' 0 N--CA 1.447 -0.578 0 N-CA-C 106.048 -1.834 . . . . 0.0 106.048 -174.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.798 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.0 OUTLIER -58.8 -39.78 78.03 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.892 0 CA-C-N 113.169 -1.832 . . . . 0.0 109.592 174.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.541 ' O ' HD13 ' A' ' 142' ' ' LEU . 0.9 OUTLIER -70.49 -41.09 73.15 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.131 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.9 mp -61.59 -39.83 84.48 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.627 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 178.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.751 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.43 -51.79 61.35 Favored 'General case' 0 N--CA 1.424 -1.731 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.702 -178.037 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.619 ' HA ' HD11 ' A' ' 20' ' ' ILE . 21.9 mm -50.6 -44.33 25.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 CA-C-O 121.366 0.603 . . . . 0.0 109.81 175.055 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.541 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -68.26 -48.55 64.75 Favored 'General case' 0 C--N 1.31 -1.147 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.884 -174.293 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.466 ' CD1' ' HE2' ' A' ' 99' ' ' PHE . 61.0 t80 -57.94 -46.72 84.6 Favored 'General case' 0 CA--C 1.506 -0.717 0 CA-C-O 122.084 0.945 . . . . 0.0 110.446 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.751 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 41.3 mt -65.44 -44.23 87.97 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 113.84 -1.527 . . . . 0.0 110.281 179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.552 ' HG2' ' HB2' ' A' ' 149' ' ' ASN . 17.6 mt-10 -52.96 -25.06 10.78 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.151 0.907 . . . . 0.0 112.688 -176.218 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.611 ' CB ' ' HE3' ' A' ' 147' ' ' LYS . 31.3 mmtt -49.02 -40.32 30.59 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.365 170.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.611 ' HE3' ' CB ' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -116.55 -15.54 10.84 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 122.116 0.96 . . . . 0.0 110.109 177.812 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.679 ' HG ' ' HB3' ' A' ' 144' ' ' LEU . 0.2 OUTLIER -96.99 178.01 5.42 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 113.537 -1.665 . . . . 0.0 110.471 -179.19 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.552 ' HB2' ' HG2' ' A' ' 145' ' ' GLU . 45.0 t-20 . . . . . 0 C--O 1.248 0.986 0 C-N-CA 123.361 0.664 . . . . 0.0 110.42 -174.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.4 mtm . . . . . 0 N--CA 1.483 1.177 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.39 118.57 1.41 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.812 0.339 . . . . 0.0 111.262 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.605 HG22 ' HB2' ' A' ' 6' ' ' ASP . 3.7 m -86.9 72.13 10.17 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -77.4 140.63 39.94 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.629 -174.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 80.5 mt 70.4 23.06 5.05 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.234 176.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.605 ' HB2' HG22 ' A' ' 3' ' ' THR . 23.1 t70 -78.13 118.33 20.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.87 179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' H ' ' HD2' ' A' ' 43' ' ' PHE . 55.6 m-85 -143.52 38.82 1.39 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 178.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.624 ' HG2' ' HD2' ' A' ' 45' ' ' LYS . 41.4 mt-10 -31.86 -68.12 0.1 Allowed 'General case' 0 CA--C 1.511 -0.545 0 O-C-N 124.76 1.288 . . . . 0.0 114.085 -168.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 12.1 t70 71.1 -14.5 0.45 Allowed 'General case' 0 C--O 1.233 0.192 0 O-C-N 124.628 1.205 . . . . 0.0 110.292 -168.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 8' ' ' GLU . . . 20.59 71.32 0.02 OUTLIER 'General case' 0 CA--C 1.502 -0.886 0 C-N-CA 125.089 1.356 . . . . 0.0 113.419 -172.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.72 -47.6 61.86 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.689 0 CA-C-N 112.137 -2.301 . . . . 0.0 110.897 175.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.887 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.1 OUTLIER -53.44 138.52 33.16 Favored 'General case' 0 N--CA 1.435 -1.191 0 CA-C-O 121.48 0.657 . . . . 0.0 112.558 174.173 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 71.4 t80 -102.35 -52.44 3.12 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.913 -1.039 . . . . 0.0 110.512 177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.715 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -76.49 -0.99 25.02 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.18 -175.308 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.59 HG13 ' H ' ' A' ' 16' ' ' ASP . 2.6 p -43.61 -62.81 0.25 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 CA-C-N 115.628 -0.714 . . . . 0.0 109.938 167.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.59 ' H ' HG13 ' A' ' 15' ' ' VAL . 32.6 t70 -100.46 20.8 14.25 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-O 121.539 0.685 . . . . 0.0 110.199 -173.049 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.715 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 38.1 t0 -56.76 -36.76 70.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.858 -176.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.69 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.4 t70 74.6 -26.04 0.2 Allowed 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.296 178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 17' ' ' ASP . 63.0 pttt -123.57 171.75 9.29 Favored 'General case' 0 N--CA 1.424 -1.772 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.849 -174.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.632 ' CD1' ' HB2' ' A' ' 144' ' ' LEU . 7.1 tp -78.96 139.51 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.595 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.162 -175.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.473 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 2.7 m -100.9 -169.66 1.74 Allowed 'General case' 0 N--CA 1.425 -1.711 0 CA-C-O 121.399 0.619 . . . . 0.0 111.505 -175.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.4 t -72.88 164.89 25.94 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.031 -0.986 . . . . 0.0 110.798 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.436 ' O ' HG21 ' A' ' 137' ' ' ILE . 25.9 mtm180 -55.37 -42.3 73.75 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 122.08 0.943 . . . . 0.0 109.342 168.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -69.88 -7.95 44.53 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.553 -1.203 . . . . 0.0 110.785 -175.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.571 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 23.1 t -101.54 -16.38 16.8 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.354 -0.839 . . . . 0.0 111.993 -171.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.751 ' HB ' HG13 ' A' ' 137' ' ' ILE . 22.1 mm -85.76 -8.58 11.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.409 HD13 ' CD1' ' A' ' 137' ' ' ILE . 39.8 mm -68.32 -55.94 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.105 0 CA-C-N 112.969 -1.923 . . . . 0.0 109.348 177.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.588 ' O ' ' HG2' ' A' ' 32' ' ' GLU . 6.9 m-20 -72.66 -28.76 62.92 Favored 'General case' 0 CA--C 1.503 -0.859 0 CA-C-N 113.859 -1.519 . . . . 0.0 108.972 178.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 53' ' ' LEU . 23.5 tp -58.31 -46.6 85.86 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 112.735 -2.029 . . . . 0.0 112.098 -170.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.64 HG13 ' HG2' ' A' ' 132' ' ' MET . 2.7 mm -61.46 -31.38 50.36 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.683 -177.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.554 ' HA ' HG21 ' A' ' 128' ' ' ILE . 21.6 t70 -73.36 -42.22 62.48 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 176.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.887 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.1 mm-40 -58.38 -51.86 68.05 Favored 'General case' 0 C--O 1.221 -0.405 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.383 178.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 57' ' ' LEU . 69.6 t80 -64.72 -56.73 11.86 Favored 'General case' 0 CA--C 1.51 -0.573 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.322 -175.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.468 HG21 HD12 ' A' ' 128' ' ' ILE . 38.6 mm -51.29 -40.18 22.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.786 177.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 59.9 m -74.32 -34.31 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.914 0.388 . . . . 0.0 110.748 176.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.606 ' O ' HG23 ' A' ' 40' ' ' VAL . 91.0 t90 -67.09 -37.45 83.97 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.676 0.274 . . . . 0.0 110.55 178.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.627 ' HD3' ' HB1' ' A' ' 106' ' ' ALA . 0.7 OUTLIER -57.77 -23.07 50.47 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.288 0.566 . . . . 0.0 110.055 173.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.488 ' HB3' ' O ' ' A' ' 35' ' ' THR . 28.0 t-20 -86.61 -46.36 10.17 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.558 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.682 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 6.2 m-70 -52.12 -40.0 60.68 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 -179.298 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.964 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 6.5 t -59.49 -24.9 29.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.569 0.7 . . . . 0.0 110.987 -179.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.53 HG21 ' O ' ' A' ' 110' ' ' GLU . 22.1 mm -92.25 -66.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.309 -1.182 0 CA-C-N 115.392 -0.822 . . . . 0.0 112.85 -175.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -54.66 -49.35 68.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.044 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.196 -178.31 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.597 ' HD2' ' H ' ' A' ' 7' ' ' TYR . 1.1 m-85 -88.03 -4.19 58.82 Favored 'General case' 0 N--CA 1.437 -1.086 0 CA-C-N 114.919 -1.037 . . . . 0.0 110.196 -176.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 52.14 43.47 30.51 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.387 -178.124 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.964 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 14.4 mtpp -68.13 -166.56 0.07 Allowed 'General case' 0 N--CA 1.434 -1.25 0 CA-C-N 114.198 -1.365 . . . . 0.0 110.707 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.729 ' HB3' ' HB2' ' A' ' 49' ' ' SER . 6.6 t0 -105.26 140.13 38.87 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-N 113.893 -1.503 . . . . 0.0 109.496 178.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.0 tp -72.61 -26.72 24.33 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.333 0 CA-C-N 114.989 -1.005 . . . . 0.0 110.441 173.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 24.1 p -88.36 -10.48 49.23 Favored 'General case' 0 C--N 1.309 -1.171 0 CA-C-O 121.941 0.877 . . . . 0.0 109.187 -178.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.729 ' HB2' ' HB3' ' A' ' 46' ' ' ASP . 29.0 t -72.88 82.25 1.19 Allowed 'General case' 0 C--N 1.316 -0.89 0 CA-C-N 114.018 -1.446 . . . . 0.0 111.186 178.318 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.712 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 36.6 t 172.47 -171.82 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.836 0.854 . . . . 0.0 109.324 177.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.646 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -90.56 -143.52 11.0 Favored Glycine 0 N--CA 1.468 0.833 0 N-CA-C 114.732 0.653 . . . . 0.0 114.732 -171.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.69 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 14.1 mtt180 -83.57 -50.29 8.38 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-O 122.341 1.067 . . . . 0.0 112.451 170.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.574 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -48.67 -44.76 38.07 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 113.056 -1.884 . . . . 0.0 112.935 -167.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.744 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.1 OUTLIER -65.89 -37.29 85.71 Favored 'General case' 0 CA--C 1.507 -0.7 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 -172.124 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.435 ' HG2' ' CE1' ' A' ' 54' ' ' TYR . 57.7 mmtt -45.42 -37.74 5.39 Favored 'General case' 0 C--N 1.302 -1.486 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.39 179.097 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.499 ' HG2' HD23 ' A' ' 144' ' ' LEU . 4.1 tp10 -74.91 -36.85 62.18 Favored 'General case' 0 C--N 1.307 -1.246 0 CA-C-O 121.087 0.47 . . . . 0.0 110.425 -177.188 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.744 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.7 OUTLIER -57.33 -37.01 71.85 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.847 172.478 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 54.5 mtt -55.21 -35.03 64.44 Favored 'General case' 0 CA--C 1.501 -0.919 0 CA-C-O 121.514 0.674 . . . . 0.0 110.137 178.04 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.6 mttt -71.05 -12.89 61.77 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.619 -177.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.601 ' O ' HG12 ' A' ' 63' ' ' VAL . 6.7 m-30 -80.27 -17.01 53.37 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 122.057 0.932 . . . . 0.0 109.214 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.595 ' O ' HG13 ' A' ' 65' ' ' ILE . 12.4 t70 -69.61 -42.3 74.58 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 114.037 -1.438 . . . . 0.0 107.484 172.033 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.808 ' HA ' HD12 ' A' ' 65' ' ' ILE . 15.4 t70 -75.82 -41.4 52.8 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 112.301 -2.227 . . . . 0.0 110.521 -173.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.601 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.9 p -61.19 -34.76 61.84 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.37 0 CA-C-N 114.065 -1.425 . . . . 0.0 109.808 178.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.16 -40.51 64.77 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.577 -1.192 . . . . 0.0 111.014 174.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.808 HD12 ' HA ' ' A' ' 62' ' ' ASP . 51.8 mt -58.41 -34.96 51.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 121.112 0.482 . . . . 0.0 110.327 172.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -71.25 -46.12 61.72 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-O 121.33 0.586 . . . . 0.0 110.609 175.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.531 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.4 OUTLIER -76.43 -71.38 0.39 Allowed 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.158 -172.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -71.88 -36.78 70.17 Favored 'General case' 0 C--N 1.311 -1.083 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.29 -177.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.59 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.91 140.17 11.24 Favored Glycine 0 N--CA 1.431 -1.648 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.062 176.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.404 ' HB ' HG23 ' A' ' 65' ' ' ILE . 11.1 tp -56.21 -43.88 77.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.123 0 CA-C-N 114.671 -0.764 . . . . 0.0 109.892 -176.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -59.06 -50.83 72.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.332 179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -61.21 -46.12 91.74 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.487 177.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.768 HG12 HD13 ' A' ' 104' ' ' ILE . 46.0 mt -57.66 -47.38 85.7 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.603 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -53.47 -43.34 68.09 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.341 -0.845 . . . . 0.0 111.015 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -70.06 -37.02 75.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.29 0.567 . . . . 0.0 110.756 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.739 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -70.99 -52.99 23.33 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.139 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.769 -178.315 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.469 ' N ' HG22 ' A' ' 76' ' ' ILE . 7.1 p -52.73 -49.86 44.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.809 0.814 . . . . 0.0 111.471 -178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' O ' ' HB3' ' A' ' 81' ' ' SER . 9.7 mt-10 -61.41 -31.13 71.05 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 114.424 -1.262 . . . . 0.0 112.81 178.105 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -61.76 -50.4 72.52 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-O 120.981 0.42 . . . . 0.0 110.135 172.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.739 ' HE3' HG23 ' A' ' 76' ' ' ILE . 8.2 mmt -53.69 -27.29 26.96 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.606 175.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.51 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 46.4 t -66.66 -23.66 66.17 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.287 -176.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -97.56 -1.18 44.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.737 177.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 1.003 ' HA3' ' HB2' ' A' ' 120' ' ' SER . . . 75.46 28.28 61.89 Favored Glycine 0 N--CA 1.452 -0.292 0 CA-C-N 115.957 -0.565 . . . . 0.0 112.568 -179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -144.68 123.97 13.02 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.474 ' HB3' ' SD ' ' A' ' 80' ' ' MET . 9.1 p-80 -117.59 172.15 7.54 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.205 0.526 . . . . 0.0 111.393 -179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.476 ' H ' ' HD1' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -143.65 45.61 1.49 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.587 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.657 HD11 ' HE1' ' A' ' 80' ' ' MET . 43.9 mm -72.02 95.08 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.315 -0.857 . . . . 0.0 112.081 -170.786 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -115.98 74.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 172.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.547 ' HD2' HG23 ' A' ' 87' ' ' ILE . 98.3 m-85 -125.37 -166.55 1.56 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.42 -176.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.3 p -65.26 -65.58 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.785 -177.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.405 ' HG3' HG22 ' A' ' 92' ' ' VAL . 23.6 tptm 67.81 132.79 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.343 0 O-C-N 123.751 0.657 . . . . 0.0 109.852 -173.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.743 ' HA ' HD23 ' A' ' 98' ' ' LEU . 26.7 m 42.35 -141.84 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 O-C-N 123.667 0.604 . . . . 0.0 111.774 177.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 74.76 -85.52 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 122.656 0.382 . . . . 0.0 111.349 174.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.773 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 14.2 t70 -92.93 171.56 8.88 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.977 -0.289 . . . . 0.0 110.539 -177.07 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.467 ' HA ' HD12 ' A' ' 98' ' ' LEU . 61.5 tt0 -72.26 -46.96 53.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.556 0.693 . . . . 0.0 109.561 -175.355 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.531 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 40.0 tt0 -61.65 -32.22 72.38 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 114.826 -1.079 . . . . 0.0 110.134 -178.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.5 t -79.99 -35.42 37.5 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.628 179.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.773 ' HG ' ' O ' ' A' ' 94' ' ' ASP . 83.9 mt -53.98 -58.15 8.39 Favored 'General case' 0 CA--C 1.513 -0.463 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 173.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.475 ' HB3' HG11 ' A' ' 63' ' ' VAL . 10.9 m-30 -62.08 -41.34 98.08 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.384 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.412 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.51 -32.88 67.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.158 -177.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.456 HG22 ' HG ' ' A' ' 131' ' ' LEU . 34.0 m -65.32 -32.65 74.42 Favored 'General case' 0 N--CA 1.437 -1.082 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.722 -178.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -69.65 -55.12 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.668 179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.595 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.57 -38.31 94.56 Favored Glycine 0 C--N 1.334 0.452 0 C-N-CA 120.814 -0.707 . . . . 0.0 114.062 -175.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.768 HD13 HG12 ' A' ' 73' ' ' ILE . 6.2 tp -60.47 -35.67 64.58 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 109.491 -0.559 . . . . 0.0 109.491 177.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . . . . . . . . . 46.8 t -73.21 -31.1 63.97 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.352 176.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.627 ' HB1' ' HD3' ' A' ' 37' ' ' ARG . . . -71.21 -33.76 70.2 Favored 'General case' 0 N--CA 1.449 -0.515 0 CA-C-O 120.843 0.354 . . . . 0.0 111.12 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.444 ' HA ' ' HD2' ' A' ' 107' ' ' LYS . 13.2 tptt -62.48 -31.03 71.71 Favored 'General case' 0 CA--C 1.517 -0.306 0 CA-C-O 121.751 0.786 . . . . 0.0 110.531 178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.512 HG12 ' HG3' ' A' ' 80' ' ' MET . 31.0 mt -77.53 -48.51 24.08 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 114.702 -1.135 . . . . 0.0 111.174 -178.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.56 HG22 ' HA ' ' A' ' 106' ' ' ALA . 11.2 t -60.76 -38.1 84.06 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 116.103 -0.499 . . . . 0.0 112.103 -177.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.53 ' O ' HG21 ' A' ' 41' ' ' ILE . 11.3 pt-20 -72.03 -45.23 61.63 Favored 'General case' 0 CA--C 1.527 0.08 0 O-C-N 122.123 -0.361 . . . . 0.0 111.663 -178.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.47 ' N ' ' HG3' ' A' ' 110' ' ' GLU . 22.8 t-80 -58.05 -27.38 63.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.975 0.417 . . . . 0.0 111.413 -173.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.444 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 44.0 m0 -76.94 -21.19 55.17 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.389 -174.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -63.61 -50.51 61.29 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 114.971 0.748 . . . . 0.0 114.971 -167.709 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.437 ' CE1' HG23 ' A' ' 41' ' ' ILE . 16.8 m-85 -53.85 -53.16 56.44 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -168.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -110.87 10.35 22.42 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.685 -0.406 . . . . 0.0 111.969 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 38.4 mtpt 57.69 73.57 0.46 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 121.671 0.748 . . . . 0.0 111.037 -177.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 118' ' ' SER . 16.8 mt -88.74 152.44 3.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.053 -177.246 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.547 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 25.8 t 164.33 -65.76 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 O-C-N 124.409 1.068 . . . . 0.0 109.611 172.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 67.85 -63.42 0.31 Allowed 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.178 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 1.003 ' HB2' ' HA3' ' A' ' 83' ' ' GLY . 13.6 m -90.64 82.85 5.76 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.625 0.25 . . . . 0.0 110.598 -178.628 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 68.18 97.04 0.06 Allowed 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.94 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . 0.437 ' HA ' ' OG ' ' A' ' 118' ' ' SER . 24.4 m-85 -62.65 -27.55 69.3 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.265 176.16 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -153.74 118.43 4.97 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.284 -0.871 . . . . 0.0 109.394 176.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 8.4 t -108.69 -48.29 3.34 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 -178.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -128.21 158.63 37.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.653 -0.703 . . . . 0.0 109.47 177.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -79.57 68.25 3.21 Favored Glycine 0 N--CA 1.45 -0.395 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 173.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.404 ' HA ' ' HB3' ' A' ' 130' ' ' ASP . 22.2 p-10 -96.28 35.69 1.43 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.203 -0.498 . . . . 0.0 112.035 -171.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.554 HG21 ' HA ' ' A' ' 31' ' ' ASP . 46.3 mm -96.02 -73.54 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 176.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 6.5 m -67.33 -24.93 65.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.304 0.573 . . . . 0.0 110.845 177.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.404 ' HB3' ' HA ' ' A' ' 127' ' ' ASN . 25.1 t70 -69.3 -17.21 63.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.211 -179.02 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.456 ' HG ' HG22 ' A' ' 101' ' ' THR . 0.0 OUTLIER -77.07 -14.01 59.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.409 0.623 . . . . 0.0 111.068 -175.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.793 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.3 ppp? -136.49 -179.7 5.84 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.93 -0.767 . . . . 0.0 108.93 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.418 ' O ' HD12 ' A' ' 137' ' ' ILE . 30.3 p -129.76 152.92 48.73 Favored 'General case' 0 C--N 1.318 -0.789 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.542 -169.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.995 ' HA ' HD13 ' A' ' 137' ' ' ILE . 14.8 t70 -49.96 -27.15 4.96 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.991 167.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -71.66 -31.84 67.24 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-N 115.892 -0.595 . . . . 0.0 109.458 177.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.793 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 13.5 t-20 -77.81 -28.96 50.49 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 107.782 -1.192 . . . . 0.0 107.782 -175.149 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.995 HD13 ' HA ' ' A' ' 134' ' ' ASP . 1.1 mp -54.84 -40.12 51.18 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.55 177.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 24.7 m-80 -65.93 -41.94 90.71 Favored 'General case' 0 N--CA 1.438 -1.025 0 CA-C-N 115.041 -0.981 . . . . 0.0 110.565 -179.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.499 HD13 ' HA ' ' A' ' 136' ' ' ASN . 2.9 mp -63.38 -42.62 96.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 178.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.687 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -64.46 -51.55 62.48 Favored 'General case' 0 N--CA 1.431 -1.408 0 CA-C-N 114.553 -1.203 . . . . 0.0 111.057 -176.537 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.561 ' HA ' HD11 ' A' ' 20' ' ' ILE . 24.2 mm -50.68 -45.71 27.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.415 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 175.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.8 OUTLIER -67.27 -50.09 61.75 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.161 -175.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.474 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 61.8 t80 -57.19 -47.24 81.75 Favored 'General case' 0 CA--C 1.503 -0.853 0 CA-C-O 121.974 0.892 . . . . 0.0 110.243 179.788 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.687 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 59.1 mt -65.98 -44.29 85.36 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-N 113.842 -1.526 . . . . 0.0 110.505 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.585 ' HG3' HG12 ' A' ' 20' ' ' ILE . 21.5 mt-10 -53.17 -24.27 10.38 Favored 'General case' 0 N--CA 1.474 0.743 0 O-C-N 124.005 0.815 . . . . 0.0 112.84 -177.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.456 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 28.1 mmtp -49.34 -38.63 28.68 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.462 170.083 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.456 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -123.26 -12.97 7.78 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 122.057 0.932 . . . . 0.0 110.177 -179.741 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.621 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -99.72 177.03 5.26 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-N 113.684 -1.598 . . . . 0.0 110.349 175.814 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.62 ' HA ' HG22 ' A' ' 20' ' ' ILE . 10.8 t-20 . . . . . 0 C--O 1.25 1.129 0 O-C-N 125.416 1.697 . . . . 0.0 109.245 -178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.484 1.228 0 CA-C-O 120.59 0.233 . . . . 0.0 111.069 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.2 55.78 0.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.161 0.505 . . . . 0.0 110.034 179.381 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 23.4 m -64.27 116.23 5.82 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.264 -177.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.3 mtmm -101.22 132.23 46.82 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.416 -0.587 . . . . 0.0 109.416 177.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 7.7 mp 62.9 -168.89 0.19 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.555 0.534 . . . . 0.0 111.439 179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.842 ' HA ' ' HA ' ' A' ' 43' ' ' PHE . 1.2 p-10 32.9 74.1 0.06 Allowed 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.311 1.044 . . . . 0.0 113.651 179.574 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -143.89 -77.51 0.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.23 179.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -144.78 -68.85 0.3 Allowed 'General case' 0 CA--C 1.497 -1.068 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 172.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' O ' HG12 ' A' ' 11' ' ' VAL . 6.3 m-20 52.06 40.82 29.27 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 113.777 -1.556 . . . . 0.0 109.688 -179.225 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.82 79.6 0.08 Allowed 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 114.137 -1.392 . . . . 0.0 111.754 176.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.4 OUTLIER -73.08 -41.26 59.19 Favored 'Isoleucine or valine' 0 C--N 1.289 -2.046 0 CA-C-N 112.189 -2.278 . . . . 0.0 112.253 -179.546 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.643 ' CE1' ' HD1' ' A' ' 36' ' ' TRP . 0.0 OUTLIER -51.0 150.56 2.99 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-O 121.84 0.829 . . . . 0.0 112.912 177.362 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 47.2 t80 -108.55 -52.34 2.78 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.237 -1.347 . . . . 0.0 110.487 -177.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.655 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -79.24 -0.42 32.06 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.104 -177.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.535 ' HB ' ' HB2' ' A' ' 12' ' ' PHE . 2.7 p -47.16 -60.29 0.59 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.564 0.697 . . . . 0.0 109.649 168.295 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.509 ' H ' HG13 ' A' ' 15' ' ' VAL . 12.6 t70 -102.29 19.12 19.35 Favored 'General case' 0 C--N 1.309 -1.194 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.134 -171.587 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.655 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 23.2 t70 -53.42 -35.67 60.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.609 -0.723 . . . . 0.0 112.156 -174.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.73 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 16.1 t70 75.82 -20.13 0.37 Allowed 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 114.944 -1.025 . . . . 0.0 111.908 174.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' C ' HD13 ' A' ' 148' ' ' LEU . 16.1 ptpt -131.13 172.84 11.65 Favored 'General case' 0 N--CA 1.421 -1.881 0 CA-C-O 121.14 0.495 . . . . 0.0 111.623 -178.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.734 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 7.7 tp -75.32 134.03 30.14 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.821 -178.341 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 5.3 m -99.31 -167.94 1.55 Allowed 'General case' 0 N--CA 1.428 -1.535 0 CA-C-O 121.545 0.688 . . . . 0.0 112.078 -175.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 45.6 t -70.15 161.9 29.34 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.187 175.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.5 ' O ' HG21 ' A' ' 137' ' ' ILE . 99.0 mtt180 -54.63 -41.61 70.25 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.948 0.88 . . . . 0.0 109.413 168.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -73.75 -6.38 46.59 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.458 -174.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.601 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.3 t -103.82 -12.35 16.98 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.639 -0.71 . . . . 0.0 112.102 -171.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.591 HG23 HD23 ' A' ' 29' ' ' LEU . 21.3 mm -89.07 -6.72 10.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 175.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.9 mm -69.71 -56.63 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.277 0 CA-C-N 113.098 -1.865 . . . . 0.0 109.637 179.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.94 -32.64 63.6 Favored 'General case' 0 CA--C 1.504 -0.819 0 CA-C-N 114.708 -1.133 . . . . 0.0 108.72 178.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 53' ' ' LEU . 23.6 tp -49.3 -49.52 43.42 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-N 112.765 -2.016 . . . . 0.0 113.432 -176.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.475 ' HA ' HD13 ' A' ' 30' ' ' ILE . 2.3 mm -60.25 -30.5 46.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.17 0.509 . . . . 0.0 110.736 -177.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -73.81 -44.91 54.39 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 175.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.9 OUTLIER -58.7 -50.78 72.61 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 178.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.486 ' CE1' ' HB2' ' A' ' 54' ' ' TYR . 75.6 t80 -63.02 -57.32 11.1 Favored 'General case' 0 CA--C 1.51 -0.581 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.851 -175.728 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.607 HG21 HG22 ' A' ' 128' ' ' ILE . 36.0 mm -49.52 -47.79 20.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.238 176.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.43 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 63.5 m -65.12 -35.64 81.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.094 0.473 . . . . 0.0 110.816 176.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.662 ' O ' HG23 ' A' ' 40' ' ' VAL . 86.7 t90 -67.67 -38.65 84.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.769 -179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.3 mmm-85 -54.88 -30.17 57.33 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-O 121.404 0.621 . . . . 0.0 109.45 173.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.478 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 23.1 t-20 -82.47 -45.21 15.04 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-N 115.131 -0.941 . . . . 0.0 108.62 -177.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.703 ' HB3' ' HD3' ' A' ' 45' ' ' LYS . 2.0 m-70 -51.5 -42.3 61.59 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.314 -0.857 . . . . 0.0 112.081 179.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.932 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 12.2 t -56.52 -30.72 32.09 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.471 0 CA-C-O 121.712 0.767 . . . . 0.0 110.15 -179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.531 HG13 ' HB2' ' A' ' 110' ' ' GLU . 21.3 mm -86.67 -66.95 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.436 -1.173 0 CA-C-N 114.898 -1.046 . . . . 0.0 112.486 -175.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.471 HG13 ' O ' ' A' ' 113' ' ' GLY . 0.1 OUTLIER -49.7 -53.0 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.776 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.898 -178.392 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.842 ' HA ' ' HA ' ' A' ' 6' ' ' ASP . 2.8 m-85 -85.81 -5.0 59.31 Favored 'General case' 0 N--CA 1.438 -1.065 0 CA-C-N 114.395 -1.275 . . . . 0.0 111.14 -174.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 57.52 45.0 20.22 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.039 -0.982 . . . . 0.0 109.56 178.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.932 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 54.9 mtpt -79.29 -158.92 0.17 Allowed 'General case' 0 N--CA 1.441 -0.893 0 CA-C-N 114.049 -1.432 . . . . 0.0 110.133 -177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 49' ' ' SER . 18.2 m-20 -121.74 132.22 54.5 Favored 'General case' 0 C--N 1.307 -1.258 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.362 -177.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.527 HD12 ' CH2' ' A' ' 36' ' ' TRP . 2.6 tp -70.86 -27.55 30.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.286 177.303 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.8 p -80.64 -11.13 59.68 Favored 'General case' 0 C--N 1.311 -1.098 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.375 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.453 ' HB2' ' HB2' ' A' ' 46' ' ' ASP . 47.2 t -93.24 82.47 4.52 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-N 113.426 -1.716 . . . . 0.0 111.088 -174.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.564 ' HB3' ' CE2' ' A' ' 54' ' ' TYR . 14.2 t -177.94 -169.57 0.21 Allowed 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 115.121 -0.945 . . . . 0.0 108.712 175.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.605 ' O ' ' HE1' ' A' ' 54' ' ' TYR . . . -89.24 -150.98 23.6 Favored Glycine 0 C--O 1.213 -1.212 0 CA-C-O 121.737 0.632 . . . . 0.0 114.564 -170.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.73 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 43.7 mtt180 -85.09 -44.99 12.5 Favored 'General case' 0 C--N 1.312 -1.036 0 CA-C-O 121.831 0.824 . . . . 0.0 112.05 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.734 HD21 HD21 ' A' ' 29' ' ' LEU . 5.4 tt -49.86 -46.35 51.4 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 113.674 -1.603 . . . . 0.0 112.491 -171.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.674 ' HA ' HD23 ' A' ' 57' ' ' LEU . 0.4 OUTLIER -67.47 -37.05 82.34 Favored 'General case' 0 CA--C 1.509 -0.598 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -170.57 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.65 ' HE2' ' HE1' ' A' ' 54' ' ' TYR . 40.0 mmtt -46.54 -34.63 5.04 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-N 114.339 -1.301 . . . . 0.0 111.473 177.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.759 ' HG2' HD23 ' A' ' 144' ' ' LEU . 8.6 tp10 -73.96 -38.72 64.11 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 121.412 0.625 . . . . 0.0 110.459 -176.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.674 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.2 mm? -56.98 -36.38 70.27 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.287 172.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.469 ' CE ' ' CE2' ' A' ' 54' ' ' TYR . 53.2 mtt -55.55 -33.0 63.44 Favored 'General case' 0 CA--C 1.508 -0.668 0 CA-C-O 121.522 0.677 . . . . 0.0 110.428 176.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' HD2' ' OE2' ' A' ' 56' ' ' GLU . 58.5 mttt -72.5 -14.32 61.63 Favored 'General case' 0 C--N 1.311 -1.078 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.866 -176.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.607 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.1 m-30 -81.78 -17.06 48.96 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 122.111 0.957 . . . . 0.0 109.041 176.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.575 ' O ' HG13 ' A' ' 65' ' ' ILE . 11.9 t70 -69.85 -42.18 73.88 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-N 114.182 -1.372 . . . . 0.0 107.617 172.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.792 ' HA ' HD12 ' A' ' 65' ' ' ILE . 21.2 t70 -75.67 -41.41 53.99 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 112.536 -2.12 . . . . 0.0 110.612 -174.024 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.3 p -60.28 -33.85 55.26 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.272 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.686 178.373 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -73.23 -42.73 62.25 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 114.292 -1.322 . . . . 0.0 110.975 174.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 62' ' ' ASP . 52.1 mt -58.09 -35.14 51.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 121.491 0.663 . . . . 0.0 110.421 173.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.8 ttt85 -67.88 -43.85 78.4 Favored 'General case' 0 N--CA 1.44 -0.966 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.764 175.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.652 ' OH ' HG21 ' A' ' 92' ' ' VAL . 0.1 OUTLIER -88.11 -68.4 0.76 Allowed 'General case' 0 N--CA 1.433 -1.306 0 CA-C-N 115.131 -0.94 . . . . 0.0 112.206 -168.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -71.24 -34.4 70.73 Favored 'General case' 0 C--N 1.311 -1.105 0 CA-C-N 115.061 -0.972 . . . . 0.0 110.55 -179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 99.26 138.03 10.11 Favored Glycine 0 N--CA 1.435 -1.431 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.379 175.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.64 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.2 tp -59.24 -42.94 88.56 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.134 0 CA-C-N 114.749 -0.725 . . . . 0.0 110.477 -174.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.556 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 19.7 t70 -56.9 -52.11 66.43 Favored 'General case' 0 CA--C 1.512 -0.484 0 CA-C-O 120.862 0.363 . . . . 0.0 111.015 178.508 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -64.36 -43.07 95.67 Favored 'General case' 0 CA--C 1.506 -0.744 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.222 -179.613 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.777 HG12 HD13 ' A' ' 104' ' ' ILE . 34.3 mt -57.0 -47.92 82.62 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.653 178.133 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -54.15 -45.66 72.08 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.99 176.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.556 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 45.5 mt-10 -70.06 -35.78 74.5 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.729 -179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.808 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.2 mp -71.05 -53.17 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.164 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.689 -178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.697 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.2 p -53.65 -52.75 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.545 0.688 . . . . 0.0 111.328 -177.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.463 ' N ' HG13 ' A' ' 77' ' ' VAL . 26.7 mt-10 -61.35 -34.57 75.51 Favored 'General case' 0 C--N 1.306 -1.32 0 CA-C-N 114.588 -1.187 . . . . 0.0 112.495 178.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.57 -49.82 76.0 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.707 0.289 . . . . 0.0 110.743 175.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.808 ' HE3' HG23 ' A' ' 76' ' ' ILE . 11.4 mmt -46.08 -34.14 3.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.018 173.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.601 ' HB3' HG21 ' A' ' 117' ' ' ILE . 15.8 m -73.27 -15.19 61.42 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.024 -171.19 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -102.5 -9.71 19.98 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.607 176.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 81.54 23.65 57.89 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.163 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.56 117.42 12.38 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 178.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 4.6 p-80 -151.19 -165.61 2.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.672 0.272 . . . . 0.0 111.616 -174.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -119.04 -89.98 0.59 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.568 -177.381 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD11 ' HE1' ' A' ' 80' ' ' MET . 1.9 mp 70.29 107.4 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 121.717 0.77 . . . . 0.0 110.538 -179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -111.77 22.08 15.34 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.477 -176.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 62.22 -164.45 0.25 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.747 -177.216 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.46 ' HB ' ' O ' ' A' ' 92' ' ' VAL . 16.8 p -83.66 115.07 21.99 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.913 0.387 . . . . 0.0 110.697 179.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -63.38 -62.95 1.34 Allowed 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 171.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.652 HG21 ' OH ' ' A' ' 67' ' ' TYR . 18.6 m -90.03 143.28 11.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.863 0 CA-C-N 114.296 -1.32 . . . . 0.0 109.256 169.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 -110.76 44.52 1.26 Allowed 'General case' 0 C--N 1.317 -0.843 0 CA-C-O 121.094 0.473 . . . . 0.0 109.943 -175.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.474 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 3.2 t70 -113.09 165.88 11.96 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.282 -174.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.545 ' HA ' HD12 ' A' ' 98' ' ' LEU . 41.9 tt0 -53.38 -43.58 67.96 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -169.417 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.98 -37.75 74.82 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.953 0.406 . . . . 0.0 111.246 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 26.2 t -80.89 -30.22 35.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.584 ' O ' HG22 ' A' ' 101' ' ' THR . 77.6 mt -60.26 -46.51 89.55 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.312 176.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.416 ' O ' ' HB3' ' A' ' 60' ' ' PHE . 10.2 m-30 -66.93 -40.62 87.64 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.94 0.4 . . . . 0.0 111.451 173.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.539 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.29 -36.07 70.59 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.411 -175.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.584 HG22 ' O ' ' A' ' 98' ' ' LEU . 7.3 t -71.32 -22.15 61.97 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 120.986 -0.285 . . . . 0.0 110.939 -175.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.0 mp -72.34 -52.86 21.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.15 175.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.504 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.81 -37.75 93.69 Favored Glycine 0 C--N 1.334 0.453 0 C-N-CA 120.797 -0.716 . . . . 0.0 113.458 -175.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.777 HD13 HG12 ' A' ' 73' ' ' ILE . 6.1 tp -59.43 -41.9 85.95 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-O 120.826 0.346 . . . . 0.0 110.197 177.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.736 ' HA ' HD12 ' A' ' 108' ' ' ILE . 54.2 m -72.73 -24.89 61.04 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.394 176.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.99 -36.42 77.82 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-O 120.561 0.22 . . . . 0.0 111.14 -176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.53 ' HD2' HG21 ' A' ' 73' ' ' ILE . 60.8 mttm -69.37 -30.08 68.0 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 121.423 0.63 . . . . 0.0 110.722 179.666 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 105' ' ' CYS . 60.7 mt -69.73 -50.13 52.28 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.858 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.281 -175.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.568 HG21 HG23 ' A' ' 34' ' ' ILE . 8.8 t -63.61 -34.41 77.75 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.674 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.531 ' HB2' HG13 ' A' ' 41' ' ' ILE . 24.4 pt-20 -79.65 -39.01 32.4 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 -176.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 -54.41 -35.11 62.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.171 0.51 . . . . 0.0 110.734 -176.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.454 ' CD1' ' HB ' ' A' ' 117' ' ' ILE . 54.3 m0 -70.46 -19.83 62.93 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -178.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.471 ' O ' HG13 ' A' ' 42' ' ' VAL . . . -50.28 -58.28 9.09 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 115.158 0.823 . . . . 0.0 115.158 -167.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.412 ' CE2' HG23 ' A' ' 41' ' ' ILE . 45.9 m-85 -54.92 -48.64 72.85 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 -165.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.569 ' CG ' HG12 ' A' ' 117' ' ' ILE . 0.1 OUTLIER -111.23 4.97 19.61 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.089 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.473 ' HB3' ' HB3' ' A' ' 120' ' ' SER . 37.6 mtmm 56.78 69.49 0.74 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 121.723 0.773 . . . . 0.0 109.894 -172.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.601 HG21 ' HB3' ' A' ' 81' ' ' SER . 11.1 mt -73.18 159.0 5.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 114.717 -1.129 . . . . 0.0 110.82 -172.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.401 ' N ' HG22 ' A' ' 117' ' ' ILE . 8.5 t 88.1 -56.89 0.03 OUTLIER 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.158 176.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 171.1 -41.67 0.0 OUTLIER 'General case' 0 C--N 1.312 -1.023 0 N-CA-C 106.116 -1.809 . . . . 0.0 106.116 -177.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.473 ' HB3' ' HB3' ' A' ' 116' ' ' LYS . 24.2 t 33.75 54.59 0.53 Allowed 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 112.883 -1.962 . . . . 0.0 112.347 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -93.63 123.26 36.84 Favored 'General case' 0 C--N 1.326 -0.456 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.543 -177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 69.39 -67.52 0.22 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.715 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -128.55 148.48 50.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -174.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 24.1 m -76.02 73.16 2.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 170.04 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.412 ' H ' ' HG ' ' A' ' 125' ' ' LEU . 2.5 pp -64.88 145.22 56.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.822 -175.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 151.83 -168.04 31.12 Favored Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . 0.597 ' HB3' ' HB2' ' A' ' 131' ' ' LEU . 50.7 m-20 -83.8 84.15 7.67 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.07 0.462 . . . . 0.0 110.851 179.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.801 HG13 ' H ' ' A' ' 129' ' ' THR . 8.3 pt -100.63 -89.37 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.091 177.444 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.801 ' H ' HG13 ' A' ' 128' ' ' ILE . 0.3 OUTLIER -71.32 -24.88 62.21 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.03 0.443 . . . . 0.0 111.377 177.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -78.61 -8.38 58.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.277 -177.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 127' ' ' ASN . 0.0 OUTLIER -90.63 -16.22 29.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.139 0.495 . . . . 0.0 111.009 -174.494 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.572 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.5 ppp? -129.95 169.13 15.63 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.476 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.661 ' O ' HD12 ' A' ' 137' ' ' ILE . 15.5 p -126.83 158.61 36.21 Favored 'General case' 0 C--N 1.32 -0.708 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.843 -167.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.812 ' HA ' HD13 ' A' ' 137' ' ' ILE . 7.3 t70 -48.42 -32.88 8.3 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.191 168.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -71.47 -27.15 63.05 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.572 0.701 . . . . 0.0 109.408 -179.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.6 ' HA ' HD12 ' A' ' 139' ' ' ILE . 12.6 t-20 -79.56 -30.81 41.8 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.12 -177.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.812 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -59.03 -37.93 70.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 114.354 -1.294 . . . . 0.0 110.134 179.548 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.502 ' O ' HD13 ' A' ' 142' ' ' LEU . 19.3 m-80 -64.27 -43.35 95.09 Favored 'General case' 0 N--CA 1.441 -0.888 0 CA-C-N 115.222 -0.899 . . . . 0.0 110.484 177.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.6 HD12 ' HA ' ' A' ' 136' ' ' ASN . 3.5 mt -63.27 -41.32 92.32 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.912 0 CA-C-O 121.84 0.829 . . . . 0.0 109.137 177.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.803 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.02 -53.85 49.76 Favored 'General case' 0 N--CA 1.427 -1.59 0 CA-C-N 114.202 -1.363 . . . . 0.0 110.918 -177.837 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.598 ' HA ' HD11 ' A' ' 20' ' ' ILE . 20.0 mm -50.18 -43.87 21.95 Favored 'Isoleucine or valine' 0 CA--C 1.51 -0.561 0 CA-C-O 121.348 0.594 . . . . 0.0 109.76 176.098 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.502 HD13 ' O ' ' A' ' 138' ' ' ASN . 0.7 OUTLIER -66.92 -49.84 64.27 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.838 -175.451 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -56.89 -48.21 78.69 Favored 'General case' 0 CA--C 1.504 -0.826 0 CA-C-O 121.879 0.847 . . . . 0.0 110.359 179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.803 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 27.7 mt -64.84 -43.14 94.04 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-N 113.897 -1.501 . . . . 0.0 110.078 -178.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.663 ' HG3' HG12 ' A' ' 20' ' ' ILE . 32.5 mt-10 -53.63 -25.93 19.88 Favored 'General case' 0 CA--C 1.51 -0.594 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 -174.542 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.509 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 35.8 mttp -51.75 -38.99 57.7 Favored 'General case' 0 C--N 1.307 -1.27 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.805 172.758 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.509 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.1 OUTLIER -118.13 -17.58 9.57 Favored 'General case' 0 N--CA 1.44 -0.951 0 CA-C-O 122.376 1.084 . . . . 0.0 109.602 -176.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.734 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.1 OUTLIER -91.8 179.04 5.73 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 113.385 -1.734 . . . . 0.0 110.778 175.162 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 63.7 t30 . . . . . 0 C--O 1.248 1.026 0 O-C-N 123.915 0.759 . . . . 0.0 110.189 -166.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.3 mtp . . . . . 0 N--CA 1.484 1.257 0 CA-C-O 120.76 0.314 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.54 118.17 4.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.88 0.372 . . . . 0.0 110.87 -178.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -89.67 99.17 12.23 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.07 175.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 42.3 mttp -73.79 143.57 45.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.51 -173.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.2 mt -87.7 75.46 8.99 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 170.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -79.7 150.03 31.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.052 -175.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.73 ' HB3' ' HB3' ' A' ' 43' ' ' PHE . 66.6 m-85 -140.73 124.23 16.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.017 0.437 . . . . 0.0 112.152 -172.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 1.004 ' HA ' ' HE2' ' A' ' 45' ' ' LYS . 38.6 mt-10 -125.62 -72.62 0.65 Allowed 'General case' 0 CA--C 1.506 -0.735 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.962 169.639 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.52 ' O ' HG12 ' A' ' 11' ' ' VAL . 0.2 OUTLIER 56.87 40.31 28.99 Favored 'General case' 0 CA--C 1.505 -0.756 0 O-C-N 124.292 0.995 . . . . 0.0 109.096 -172.1 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.655 ' HA ' ' CE1' ' A' ' 12' ' ' PHE . . . -70.61 65.51 0.31 Allowed 'General case' 0 N--CA 1.445 -0.705 0 CA-C-O 123.246 1.498 . . . . 0.0 112.237 -178.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 9' ' ' ASP . 0.8 OUTLIER -57.15 -44.61 83.67 Favored 'Isoleucine or valine' 0 C--N 1.285 -2.226 0 CA-C-N 111.514 -2.585 . . . . 0.0 111.612 173.461 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.655 ' CE1' ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -51.88 145.86 9.2 Favored 'General case' 0 N--CA 1.441 -0.875 0 CA-C-O 121.96 0.885 . . . . 0.0 113.036 177.31 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -101.7 -53.08 3.05 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 114.114 -1.403 . . . . 0.0 110.262 -177.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.738 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.1 OUTLIER -81.79 -2.29 50.3 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.977 -1.01 . . . . 0.0 110.388 -175.049 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.695 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 2.5 p -42.48 -48.69 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.919 172.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.51 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 31.1 t70 -115.54 19.51 15.33 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.3 -0.863 . . . . 0.0 110.833 -175.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.738 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 21.9 t70 -53.59 -33.94 56.67 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.874 -173.047 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.699 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 18.0 t70 72.7 -27.43 0.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 115.059 -0.973 . . . . 0.0 111.236 177.079 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.562 ' C ' HD13 ' A' ' 148' ' ' LEU . 19.6 pttp -115.74 172.51 7.08 Favored 'General case' 0 N--CA 1.424 -1.753 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.524 -175.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.699 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 8.2 tp -82.27 139.28 18.1 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.403 178.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 25' ' ' SER . 4.8 m -102.67 -169.14 1.62 Allowed 'General case' 0 N--CA 1.423 -1.804 0 CA-C-O 121.532 0.682 . . . . 0.0 111.751 -176.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 48.4 t -69.39 161.34 29.6 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-N 114.432 -1.258 . . . . 0.0 111.555 175.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 23' ' ' ARG . 51.7 mtp180 -53.96 -41.75 68.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 122.05 0.929 . . . . 0.0 109.342 167.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -74.26 -4.89 38.84 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.785 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.581 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 8.2 t -97.99 -21.84 16.61 Favored 'General case' 0 C--N 1.31 -1.11 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.097 -172.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.569 HD13 HD22 ' A' ' 29' ' ' LEU . 28.0 mm -75.62 -11.74 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.381 0 CA-C-O 122.603 1.192 . . . . 0.0 108.189 178.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.98 -55.9 13.19 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.352 0 CA-C-N 112.839 -1.982 . . . . 0.0 110.021 179.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.4 -33.45 65.0 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 114.302 -1.317 . . . . 0.0 108.508 178.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 53' ' ' LEU . 25.7 tp -50.99 -51.46 52.63 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 112.668 -2.06 . . . . 0.0 113.221 -173.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.541 HG13 ' HG2' ' A' ' 132' ' ' MET . 7.1 mm -60.84 -34.53 59.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.287 -176.54 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.25 -44.87 71.08 Favored 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.596 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 2.5 mm-40 -58.25 -51.82 68.17 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 116.592 -0.276 . . . . 0.0 111.621 176.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.542 ' O ' ' HD3' ' A' ' 37' ' ' ARG . 69.6 t80 -61.5 -55.26 32.98 Favored 'General case' 0 CA--C 1.509 -0.611 0 CA-C-O 121.059 0.457 . . . . 0.0 110.454 -176.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 33.7 mm -56.17 -24.82 18.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.192 -0.913 . . . . 0.0 111.386 177.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' ASN . 57.8 m -81.61 -38.54 25.87 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 121.053 -1.029 . . . . 0.0 110.896 170.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.55 ' HD1' ' CE1' ' A' ' 12' ' ' PHE . 71.3 t90 -66.13 -53.48 37.22 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 -174.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.698 ' NH2' ' HB2' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -75.61 3.68 9.09 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 118.669 -1.212 . . . . 0.0 109.466 -176.354 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.698 ' HB2' ' NH2' ' A' ' 37' ' ' ARG . 22.5 t-20 -85.75 -47.23 9.95 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-N 115.371 -0.831 . . . . 0.0 108.771 165.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.525 ' HA ' HG23 ' A' ' 42' ' ' VAL . 9.8 m170 -55.15 -31.89 61.69 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.744 178.091 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.601 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 14.5 t -60.34 -24.55 31.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.659 0.742 . . . . 0.0 110.078 179.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.499 HG23 ' CE1' ' A' ' 114' ' ' TYR . 23.2 mm -92.15 -64.64 1.18 Allowed 'Isoleucine or valine' 0 N--CA 1.44 -0.936 0 CA-C-N 114.755 -1.111 . . . . 0.0 111.998 -178.222 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.525 HG23 ' HA ' ' A' ' 39' ' ' HIS . 0.0 OUTLIER -51.79 -48.86 37.96 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.777 0 CA-C-N 114.789 -1.096 . . . . 0.0 110.957 -179.148 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.73 ' HB3' ' HB3' ' A' ' 7' ' ' TYR . 2.9 m-85 -90.38 -8.65 50.13 Favored 'General case' 0 N--CA 1.441 -0.921 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.444 -176.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.535 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 13.0 t-20 49.7 53.08 13.37 Favored 'General case' 0 N--CA 1.442 -0.871 0 CA-C-N 114.192 -1.367 . . . . 0.0 110.318 -173.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.004 ' HE2' ' HA ' ' A' ' 8' ' ' GLU . 7.4 mtpm? -76.56 -150.12 0.03 OUTLIER 'General case' 0 N--CA 1.444 -0.764 0 CA-C-N 114.915 -1.039 . . . . 0.0 109.346 177.465 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' HB2' ' CB ' ' A' ' 49' ' ' SER . 9.2 m-20 -125.54 135.36 52.17 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.729 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.428 HG13 ' O ' ' A' ' 47' ' ' ILE . 3.3 tp -71.47 -29.04 33.56 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-O 122.051 0.929 . . . . 0.0 110.757 175.694 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.3 p -75.81 -17.13 59.97 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 114.538 -1.21 . . . . 0.0 109.034 -178.403 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.574 ' CB ' ' HB2' ' A' ' 46' ' ' ASP . 30.6 t -84.25 82.99 8.13 Favored 'General case' 0 C--N 1.312 -1.051 0 CA-C-N 113.076 -1.875 . . . . 0.0 110.348 -176.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.0 p -174.16 -166.06 0.26 Allowed 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.206 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.51 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -108.24 -164.18 21.09 Favored Glycine 0 N--CA 1.44 -1.084 0 CA-C-N 115.421 -0.808 . . . . 0.0 111.829 179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.699 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 51.7 mtt180 -73.85 -45.72 49.32 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-O 121.334 0.588 . . . . 0.0 112.102 -173.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.738 HD21 HD21 ' A' ' 29' ' ' LEU . 5.7 tt -50.65 -42.08 56.05 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.506 -1.225 . . . . 0.0 111.124 -176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.695 ' CZ ' ' HA ' ' A' ' 15' ' ' VAL . 2.4 m-30 -69.45 -31.12 69.23 Favored 'General case' 0 C--N 1.32 -0.7 0 N-CA-C 113.484 0.92 . . . . 0.0 113.484 -173.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.44 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 60.1 mmtt -58.2 -35.66 71.95 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 123.383 0.427 . . . . 0.0 110.115 -176.387 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.559 ' HG3' ' HE2' ' A' ' 143' ' ' PHE . 0.8 OUTLIER -72.0 -37.06 69.88 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.018 -177.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.604 HD23 ' HA ' ' A' ' 54' ' ' TYR . 1.0 OUTLIER -58.82 -38.12 77.92 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.563 174.243 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.558 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 44.3 mtt -58.01 -32.37 67.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.686 0.755 . . . . 0.0 110.298 177.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.504 ' HG3' ' HA ' ' A' ' 56' ' ' GLU . 56.2 mttt -74.68 -13.2 60.59 Favored 'General case' 0 C--N 1.316 -0.884 0 CA-C-N 114.867 -1.06 . . . . 0.0 111.476 -177.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.561 ' O ' HG12 ' A' ' 63' ' ' VAL . 10.4 m-30 -77.64 -14.8 59.53 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 122.213 1.006 . . . . 0.0 109.324 177.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.558 ' HB3' ' O ' ' A' ' 58' ' ' MET . 16.5 t70 -68.55 -46.35 69.71 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 114.094 -1.412 . . . . 0.0 108.346 169.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.696 ' HA ' HD12 ' A' ' 65' ' ' ILE . 19.5 t70 -70.32 -42.57 71.77 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-N 112.063 -2.335 . . . . 0.0 110.361 -173.193 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.561 HG12 ' O ' ' A' ' 60' ' ' PHE . 3.1 p -62.52 -34.71 66.33 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.383 0 CA-C-N 113.78 -1.555 . . . . 0.0 110.193 179.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.6 -41.53 65.52 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.234 174.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.696 HD12 ' HA ' ' A' ' 62' ' ' ASP . 45.0 mt -59.47 -35.72 60.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.765 0.793 . . . . 0.0 110.048 172.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB3' ' O ' ' A' ' 63' ' ' VAL . 27.5 tpt180 -65.18 -48.93 71.71 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.082 -0.963 . . . . 0.0 109.549 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.471 ' HD2' ' HG2' ' A' ' 96' ' ' GLU . 0.5 OUTLIER -79.33 -72.2 0.4 Allowed 'General case' 0 N--CA 1.435 -1.206 0 CA-C-N 114.743 -1.117 . . . . 0.0 111.769 -170.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.4 m-85 -71.39 -38.34 71.51 Favored 'General case' 0 C--N 1.31 -1.12 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.742 -175.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 110.71 141.12 8.67 Favored Glycine 0 N--CA 1.43 -1.719 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 174.066 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.527 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.9 tp -59.46 -45.09 94.0 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.155 0 CA-C-N 114.861 -0.669 . . . . 0.0 110.136 -176.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.455 ' O ' ' HG3' ' A' ' 75' ' ' GLU . 27.1 t70 -59.57 -51.48 69.65 Favored 'General case' 0 CA--C 1.516 -0.365 0 CA-C-O 121.053 0.454 . . . . 0.0 111.181 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.496 ' O ' ' HB ' ' A' ' 76' ' ' ILE . 0.3 OUTLIER -58.53 -46.48 86.69 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.428 179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.744 HG12 HD13 ' A' ' 104' ' ' ILE . 45.2 mt -60.18 -46.47 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.116 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.779 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 93.4 m-20 -54.36 -48.67 71.22 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.409 178.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.455 ' HG3' ' O ' ' A' ' 71' ' ' ASP . 38.9 mt-10 -64.14 -45.03 90.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.851 0.834 . . . . 0.0 109.749 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.598 ' O ' ' HE2' ' A' ' 80' ' ' MET . 1.3 mp -67.92 -52.5 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.205 0 CA-C-N 113.891 -1.504 . . . . 0.0 112.838 -173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 1.025 HG23 ' HA ' ' A' ' 108' ' ' ILE . 6.4 p -52.77 -54.22 17.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 121.567 0.698 . . . . 0.0 111.904 -175.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.476 ' N ' HG13 ' A' ' 77' ' ' VAL . 49.3 mt-10 -60.77 -31.48 70.83 Favored 'General case' 0 C--N 1.304 -1.397 0 CA-C-N 114.162 -1.381 . . . . 0.0 112.308 -179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.529 ' HB1' ' ND1' ' A' ' 85' ' ' HIS . . . -67.92 -47.87 67.54 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.227 174.433 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.598 ' HE2' ' O ' ' A' ' 76' ' ' ILE . 10.3 mmt -50.5 -24.89 3.46 Favored 'General case' 0 CA--C 1.507 -0.682 0 N-CA-C 111.927 0.343 . . . . 0.0 111.927 174.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.737 ' HB3' HG21 ' A' ' 117' ' ' ILE . 14.6 m -66.27 -17.39 64.72 Favored 'General case' 0 N--CA 1.438 -1.074 0 CA-C-O 121.292 0.568 . . . . 0.0 110.512 -178.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -97.06 -9.24 28.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.791 175.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.71 69.58 1.25 Allowed Glycine 0 C--N 1.333 0.408 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.678 -179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -141.55 -63.07 0.45 Allowed 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.777 0.658 . . . . 0.0 112.777 -173.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.529 ' ND1' ' HB1' ' A' ' 79' ' ' ALA . 13.8 m80 -83.63 -167.86 1.89 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.831 0.824 . . . . 0.0 112.919 -169.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' HA ' HD12 ' A' ' 87' ' ' ILE . 0.3 OUTLIER 76.35 150.43 0.11 Allowed 'General case' 0 CA--C 1.513 -0.459 0 CA-C-N 113.443 -1.708 . . . . 0.0 113.129 179.366 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 86' ' ' TYR . 2.1 mp -138.31 -75.69 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.555 0 CA-C-N 114.075 -1.42 . . . . 0.0 110.084 -165.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -102.46 175.06 5.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.139 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.696 ' HB3' HG23 ' A' ' 101' ' ' THR . 90.3 m-85 -122.6 -66.22 1.04 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.439 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 17.1 p -80.23 120.79 24.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.943 0.402 . . . . 0.0 110.623 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -76.6 -60.13 2.48 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.527 0.679 . . . . 0.0 109.493 177.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 29.6 m -117.42 149.39 19.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 CA-C-N 115.146 -0.934 . . . . 0.0 109.761 175.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -77.22 87.41 3.66 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.975 0.417 . . . . 0.0 109.907 178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.504 ' O ' ' HG ' ' A' ' 98' ' ' LEU . 29.1 t70 -155.66 147.59 23.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.039 178.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.542 ' HA ' HD12 ' A' ' 98' ' ' LEU . 58.0 tt0 -48.56 -46.99 39.78 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 113.211 0.819 . . . . 0.0 113.211 -171.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.471 ' HG2' ' HD2' ' A' ' 67' ' ' TYR . 43.4 tt0 -56.34 -42.1 77.16 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 120.775 0.321 . . . . 0.0 111.162 -177.752 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.1 t -78.43 -29.15 46.92 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.959 -0.386 . . . . 0.0 109.959 178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.542 HD12 ' HA ' ' A' ' 95' ' ' GLN . 90.7 mt -61.83 -49.96 74.21 Favored 'General case' 0 CA--C 1.516 -0.35 0 N-CA-C 109.886 -0.412 . . . . 0.0 109.886 176.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.433 ' HE2' ' CD1' ' A' ' 143' ' ' PHE . 10.6 m-30 -64.2 -41.22 97.16 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.104 0.478 . . . . 0.0 110.754 176.221 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.482 ' HA ' HG13 ' A' ' 63' ' ' VAL . . . -57.37 -31.0 65.34 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.241 -0.891 . . . . 0.0 110.755 -178.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.696 HG23 ' HB3' ' A' ' 89' ' ' PHE . 99.3 m -66.69 -33.05 74.78 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.079 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.763 HG13 HD21 ' A' ' 131' ' ' LEU . 2.1 mp -69.77 -52.4 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 N-CA-C 110.294 -0.261 . . . . 0.0 110.294 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.422 ' HA3' ' O ' ' A' ' 60' ' ' PHE . . . -67.06 -40.71 93.12 Favored Glycine 0 C--N 1.334 0.448 0 C-N-CA 120.773 -0.727 . . . . 0.0 114.132 -174.105 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.744 HD13 HG12 ' A' ' 73' ' ' ILE . 6.0 tp -58.51 -43.78 87.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 177.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.652 ' O ' HG22 ' A' ' 109' ' ' THR . 77.2 m -72.43 -25.34 61.43 Favored 'General case' 0 N--CA 1.443 -0.795 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.832 178.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.54 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -68.67 -52.48 30.6 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 178.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.488 ' HD2' ' HA ' ' A' ' 107' ' ' LYS . 15.0 tptt -61.13 -29.81 70.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.442 0.639 . . . . 0.0 110.274 -170.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.025 ' HA ' HG23 ' A' ' 77' ' ' VAL . 23.7 mt -67.87 -54.82 19.83 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.956 0 CA-C-N 114.785 -1.098 . . . . 0.0 111.884 179.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.652 HG22 ' O ' ' A' ' 105' ' ' CYS . 0.6 OUTLIER -69.44 -26.18 64.47 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.704 0.631 . . . . 0.0 112.704 -174.103 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.54 ' HG2' ' O ' ' A' ' 106' ' ' ALA . 7.1 pt-20 -78.9 -34.09 45.02 Favored 'General case' 0 C--N 1.33 -0.27 0 O-C-N 121.772 -0.58 . . . . 0.0 111.82 -177.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 -56.55 -27.39 57.54 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 121.385 0.612 . . . . 0.0 110.474 -179.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.493 ' NE1' ' HA ' ' A' ' 81' ' ' SER . 47.2 m0 -70.14 -19.51 63.21 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.362 -177.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -61.94 -40.48 98.93 Favored Glycine 0 CA--C 1.523 0.573 0 C-N-CA 121.314 -0.469 . . . . 0.0 114.059 -170.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.499 ' CE1' HG23 ' A' ' 41' ' ' ILE . 18.4 m-85 -55.55 -60.21 3.75 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 -171.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -110.79 11.39 22.53 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.895 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 98.6 mttt 61.91 74.56 0.44 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.829 0.823 . . . . 0.0 110.374 -176.675 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.737 HG21 ' HB3' ' A' ' 81' ' ' SER . 6.1 mt -91.98 158.24 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-N 114.826 -1.079 . . . . 0.0 109.999 -174.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 24.9 t 74.22 76.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.765 0.793 . . . . 0.0 110.472 179.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.22 70.67 5.29 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 177.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 m -62.81 95.97 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.007 -0.997 . . . . 0.0 111.672 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 59.67 -89.9 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.231 179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -126.77 -18.14 4.8 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.654 0.264 . . . . 0.0 111.287 -179.384 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -135.89 119.52 17.1 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.769 0.319 . . . . 0.0 110.464 -177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 25.9 t -66.42 120.27 13.05 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.861 178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 pp -112.22 153.2 27.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.839 0.352 . . . . 0.0 110.793 -177.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.68 -118.7 1.83 Allowed Glycine 0 N--CA 1.448 -0.541 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.03 -179.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -144.34 161.04 39.96 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.9 pt -135.37 -167.65 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 123.055 0.222 . . . . 0.0 111.427 -173.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.503 ' O ' ' HG3' ' A' ' 132' ' ' MET . 5.1 m -59.18 -24.08 62.78 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 122.746 0.419 . . . . 0.0 111.95 -179.283 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -57.22 -18.81 17.65 Favored 'General case' 0 CA--C 1.536 0.415 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.763 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -72.55 -16.01 61.76 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 121.358 0.599 . . . . 0.0 110.867 -178.091 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.559 ' CE ' HG13 ' A' ' 137' ' ' ILE . 4.4 ppp? -123.11 159.81 27.74 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.795 -0.816 . . . . 0.0 108.795 178.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.705 ' O ' HD12 ' A' ' 137' ' ' ILE . 2.7 p -92.76 -176.11 4.14 Favored 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.725 -168.566 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.731 ' O ' ' HB ' ' A' ' 137' ' ' ILE . 0.0 OUTLIER -81.91 -37.34 26.97 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 105.317 -2.105 . . . . 0.0 105.317 -175.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -72.57 -22.42 60.99 Favored 'General case' 0 N--CA 1.435 -1.224 0 CA-C-N 111.613 -2.539 . . . . 0.0 109.683 -179.053 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.505 ' O ' ' HB2' ' A' ' 140' ' ' LEU . 36.6 t30 -76.96 -26.15 53.63 Favored 'General case' 0 CA--C 1.511 -0.543 0 N-CA-C 106.042 -1.836 . . . . 0.0 106.042 -172.275 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.731 ' HB ' ' O ' ' A' ' 134' ' ' ASP . 1.1 mt -58.52 -42.76 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.89 0 CA-C-N 112.996 -1.911 . . . . 0.0 109.596 173.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.521 ' O ' HD13 ' A' ' 142' ' ' LEU . 35.4 m-80 -73.85 -38.49 64.47 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.717 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.93 -40.07 85.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 176.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.706 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -63.36 -52.26 62.49 Favored 'General case' 0 N--CA 1.427 -1.602 0 CA-C-N 115.027 -0.988 . . . . 0.0 110.805 -177.495 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.588 ' HA ' HD11 ' A' ' 20' ' ' ILE . 25.3 mm -51.22 -45.17 31.33 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.426 0 CA-C-O 121.253 0.549 . . . . 0.0 109.759 175.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -67.05 -47.58 70.88 Favored 'General case' 0 C--N 1.311 -1.104 0 CA-C-N 115.022 -0.99 . . . . 0.0 111.655 -175.091 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . 0.559 ' HE2' ' HG3' ' A' ' 56' ' ' GLU . 62.9 t80 -56.61 -47.74 78.97 Favored 'General case' 0 CA--C 1.502 -0.869 0 CA-C-O 122.131 0.967 . . . . 0.0 110.402 179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.706 ' HG ' ' O ' ' A' ' 140' ' ' LEU . 31.5 mt -68.22 -42.66 79.48 Favored 'General case' 0 C--N 1.303 -1.439 0 CA-C-N 113.693 -1.594 . . . . 0.0 110.251 -178.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.637 ' HG3' HG12 ' A' ' 20' ' ' ILE . 16.4 mt-10 -53.87 -24.8 17.1 Favored 'General case' 0 CA--C 1.507 -0.688 0 O-C-N 123.904 0.752 . . . . 0.0 112.37 -176.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.463 ' HB2' ' HE3' ' A' ' 147' ' ' LYS . 29.2 mmtp -48.02 -43.03 29.72 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 114.906 -1.043 . . . . 0.0 111.034 171.382 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 146' ' ' LYS . 1.3 mttt -115.97 -11.62 11.45 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 122.154 0.978 . . . . 0.0 109.987 179.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.699 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -96.59 -179.98 4.79 Favored 'General case' 0 C--N 1.316 -0.863 0 CA-C-N 113.311 -1.768 . . . . 0.0 110.712 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 . . . . . 0 C--O 1.248 0.996 0 O-C-N 124.197 0.935 . . . . 0.0 110.087 -172.716 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.3 tpp . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.866 0.365 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.24 101.4 11.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.887 0.375 . . . . 0.0 110.447 177.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 p -90.07 149.36 22.53 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.849 178.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 87.1 tttt 56.01 78.76 0.19 Allowed 'General case' 0 C--N 1.33 -0.254 0 O-C-N 123.765 0.665 . . . . 0.0 111.214 -178.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 98.8 mt -87.13 42.29 1.02 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.398 0.618 . . . . 0.0 109.405 174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.876 ' HB2' ' HA ' ' A' ' 43' ' ' PHE . 7.3 p-10 -147.32 77.67 1.45 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.166 -177.122 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -140.81 -62.6 0.48 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.465 -176.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.498 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 74.9 mt-10 -136.88 -82.14 0.37 Allowed 'General case' 0 CA--C 1.501 -0.904 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -177.622 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 51.17 31.97 7.39 Favored 'General case' 0 N--CA 1.444 -0.754 0 O-C-N 124.592 1.183 . . . . 0.0 109.948 -176.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.54 78.7 0.57 Allowed 'General case' 0 N--CA 1.442 -0.853 0 CA-C-O 122.726 1.251 . . . . 0.0 112.195 -179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.439 HG12 ' H ' ' A' ' 11' ' ' VAL . 0.2 OUTLIER -65.1 -44.23 95.65 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.137 0 CA-C-N 112.054 -2.339 . . . . 0.0 111.455 175.328 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.62 ' HB3' ' HB3' ' A' ' 32' ' ' GLU . 0.0 OUTLIER -52.53 149.13 6.12 Favored 'General case' 0 N--CA 1.44 -0.959 0 N-CA-C 113.087 0.773 . . . . 0.0 113.087 177.17 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.0 -53.11 2.74 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.403 179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.873 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -70.65 -6.92 40.6 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.761 -177.07 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.709 ' HA ' ' CZ ' ' A' ' 54' ' ' TYR . 3.8 p -45.06 -47.12 3.12 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.289 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.052 169.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . 0.628 ' HA ' ' N ' ' A' ' 51' ' ' GLY . 23.0 t70 -116.31 18.74 15.14 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.756 -175.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.873 ' HB2' ' HA ' ' A' ' 14' ' ' PHE . 30.2 t0 -53.96 -36.0 62.37 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.497 -0.774 . . . . 0.0 112.37 -172.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.773 ' HA ' ' H ' ' A' ' 52' ' ' ARG . 13.7 t70 73.06 -29.41 0.2 Allowed 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.424 178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.485 ' C ' HD13 ' A' ' 148' ' ' LEU . 17.2 ptmt -119.67 170.88 8.8 Favored 'General case' 0 N--CA 1.426 -1.667 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.833 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.756 ' HB ' ' HB3' ' A' ' 148' ' ' LEU . 6.5 tp -84.64 137.8 20.23 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.718 -178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.448 ' HB2' ' CB ' ' A' ' 25' ' ' SER . 0.1 OUTLIER -115.15 -163.19 0.86 Allowed 'General case' 0 N--CA 1.436 -1.166 0 CA-C-O 121.502 0.668 . . . . 0.0 111.968 -178.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -67.27 159.6 28.84 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.272 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.503 ' O ' HG21 ' A' ' 137' ' ' ILE . 70.7 mtm180 -55.02 -39.43 69.09 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 122.001 0.905 . . . . 0.0 109.449 167.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -70.34 -8.32 49.61 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 114.313 -1.312 . . . . 0.0 110.324 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . 0.642 ' O ' ' HB2' ' A' ' 29' ' ' LEU . 17.9 t -100.82 -11.3 19.95 Favored 'General case' 0 N--CA 1.438 -1.067 0 CA-C-N 115.063 -0.971 . . . . 0.0 111.38 -172.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.547 ' HA ' ' CB ' ' A' ' 29' ' ' LEU . 18.9 mm -92.05 -9.35 10.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.6 mm -70.62 -54.87 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.92 0 CA-C-N 113.189 -1.823 . . . . 0.0 109.597 177.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.463 ' HB3' ' CE2' ' A' ' 14' ' ' PHE . 4.4 t70 -71.01 -27.82 63.96 Favored 'General case' 0 CA--C 1.502 -0.871 0 CA-C-N 113.622 -1.627 . . . . 0.0 108.396 179.317 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.642 ' HB2' ' O ' ' A' ' 25' ' ' SER . 22.2 tp -64.09 -49.36 72.55 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 111.955 -2.384 . . . . 0.0 111.861 -171.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 30' ' ' ILE . 2.9 mm -59.75 -28.14 39.78 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.501 0.667 . . . . 0.0 109.932 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -75.64 -44.94 40.07 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.814 -1.085 . . . . 0.0 108.79 178.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.62 ' HB3' ' HB3' ' A' ' 12' ' ' PHE . 0.5 OUTLIER -59.41 -50.35 74.29 Favored 'General case' 0 C--N 1.342 0.254 0 N-CA-C 112.161 0.43 . . . . 0.0 112.161 174.261 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.413 ' CZ ' ' HB3' ' A' ' 57' ' ' LEU . 87.4 t80 -64.58 -58.14 7.16 Favored 'General case' 0 CA--C 1.506 -0.725 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -166.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.727 HG23 HG21 ' A' ' 109' ' ' THR . 41.3 mm -51.78 -42.91 33.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.273 178.43 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 27.5 m -67.16 -33.85 76.29 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.892 0.377 . . . . 0.0 110.75 176.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . 0.652 ' O ' HG23 ' A' ' 40' ' ' VAL . 67.0 t90 -68.32 -43.66 77.1 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 -179.054 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.619 ' HB3' ' HB3' ' A' ' 110' ' ' GLU . 15.8 mmm180 -52.31 -45.65 65.67 Favored 'General case' 0 CA--C 1.511 -0.528 0 N-CA-C 109.801 -0.444 . . . . 0.0 109.801 175.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.577 ' HA ' ' HA ' ' A' ' 110' ' ' GLU . 28.5 t-20 -60.67 -49.5 77.27 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.949 175.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 43' ' ' PHE . 0.0 OUTLIER -51.1 -37.25 44.77 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.57 -0.741 . . . . 0.0 112.396 -179.283 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.671 ' HA ' ' HB2' ' A' ' 45' ' ' LYS . 15.7 t -67.02 -25.44 34.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 CA-C-O 121.684 0.754 . . . . 0.0 110.75 -178.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.579 HG12 ' O ' ' A' ' 37' ' ' ARG . 20.8 mm -89.02 -62.86 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.308 -1.211 0 CA-C-N 115.138 -0.937 . . . . 0.0 112.569 -173.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.42 HG13 ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -52.72 -48.49 49.02 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.928 0 CA-C-N 114.848 -1.069 . . . . 0.0 111.02 -179.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.876 ' HA ' ' HB2' ' A' ' 6' ' ' ASP . 2.0 m-85 -86.42 -9.16 56.85 Favored 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 114.135 -1.393 . . . . 0.0 110.075 -176.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.407 ' HA ' ' O ' ' A' ' 40' ' ' VAL . 18.7 t-20 48.65 55.81 8.52 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.495 -1.23 . . . . 0.0 110.067 -173.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.671 ' HB2' ' HA ' ' A' ' 40' ' ' VAL . 53.9 mtpt -80.73 -143.14 0.04 OUTLIER 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 114.186 -1.37 . . . . 0.0 108.758 176.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -134.47 135.93 42.83 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-O 121.344 0.593 . . . . 0.0 110.672 -178.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.455 HD11 ' SD ' ' A' ' 58' ' ' MET . 1.5 tp -74.99 -31.68 25.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.018 -0.992 . . . . 0.0 110.713 178.339 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 40.8 p -74.2 -19.65 60.46 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.274 -177.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.9 t -83.87 82.01 8.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 113.014 -1.903 . . . . 0.0 109.81 -179.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 25.0 p -170.88 -168.76 0.7 Allowed 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.452 -1.249 . . . . 0.0 108.253 176.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.628 ' N ' ' HA ' ' A' ' 16' ' ' ASP . . . -109.92 -173.02 20.51 Favored Glycine 0 N--CA 1.431 -1.677 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.736 -177.625 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.773 ' H ' ' HA ' ' A' ' 18' ' ' ASP . 12.4 mtt180 -70.31 -42.09 72.45 Favored 'General case' 0 C--N 1.311 -1.088 0 CA-C-O 121.609 0.719 . . . . 0.0 111.57 -170.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.57 HD21 HD21 ' A' ' 29' ' ' LEU . 5.2 tt -51.43 -49.96 60.66 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-N 113.886 -1.506 . . . . 0.0 109.982 -179.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.743 ' HA ' HD23 ' A' ' 57' ' ' LEU . 2.3 m-30 -60.27 -42.23 94.96 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 113.744 1.016 . . . . 0.0 113.744 -177.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.737 ' O ' ' HG3' ' A' ' 59' ' ' LYS . 53.5 mmtt -48.28 -39.17 20.75 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.676 ' HG3' ' HD2' ' A' ' 59' ' ' LYS . 0.4 OUTLIER -71.58 -34.79 70.23 Favored 'General case' 0 C--N 1.316 -0.867 0 C-N-CA 119.955 -0.698 . . . . 0.0 111.439 -177.729 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.743 HD23 ' HA ' ' A' ' 54' ' ' TYR . 0.6 OUTLIER -56.33 -40.29 74.17 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-O 120.806 0.336 . . . . 0.0 111.433 172.557 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.544 ' O ' ' HB3' ' A' ' 61' ' ' ASP . 31.4 mtt -62.8 -45.38 92.9 Favored 'General case' 0 C--O 1.213 -0.857 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.737 ' HG3' ' O ' ' A' ' 55' ' ' LYS . 84.4 mttt -48.07 -16.44 0.09 Allowed 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 113.611 -1.632 . . . . 0.0 113.855 171.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.676 ' O ' HG12 ' A' ' 63' ' ' VAL . 7.0 m-30 -85.23 -18.9 32.62 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.844 0.83 . . . . 0.0 109.99 173.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.613 ' HA ' ' HA3' ' A' ' 103' ' ' GLY . 38.3 t70 -70.92 -38.38 72.94 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 172.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.605 ' HA ' HD12 ' A' ' 65' ' ' ILE . 23.5 t70 -74.68 -41.1 60.89 Favored 'General case' 0 C--N 1.309 -1.158 0 CA-C-N 112.145 -2.298 . . . . 0.0 109.99 -174.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.676 HG12 ' O ' ' A' ' 60' ' ' PHE . 2.8 p -64.48 -33.1 60.68 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.17 0 CA-C-N 113.984 -1.462 . . . . 0.0 109.723 178.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -72.68 -45.47 58.71 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.378 -1.283 . . . . 0.0 110.874 174.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.67 HG23 ' HB ' ' A' ' 70' ' ' ILE . 60.7 mt -55.62 -35.64 39.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.527 0.68 . . . . 0.0 110.41 171.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 -68.58 -44.11 75.11 Favored 'General case' 0 N--CA 1.441 -0.88 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.626 176.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.469 ' CE2' ' HB2' ' A' ' 97' ' ' SER . 0.2 OUTLIER -83.74 -69.87 0.61 Allowed 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.641 -171.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -70.67 -38.71 73.8 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.192 -0.913 . . . . 0.0 109.836 -176.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . 0.608 ' O ' HG13 ' A' ' 73' ' ' ILE . . . 108.91 138.57 8.37 Favored Glycine 0 N--CA 1.43 -1.751 0 CA-C-N 115.296 -0.865 . . . . 0.0 112.053 173.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.67 ' HB ' HG23 ' A' ' 65' ' ' ILE . 10.4 tp -58.37 -44.68 89.05 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.151 0 CA-C-N 114.898 -0.651 . . . . 0.0 109.825 -176.314 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -56.71 -51.77 67.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.498 178.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.474 ' O ' HD13 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -60.73 -45.81 92.84 Favored 'General case' 0 CA--C 1.507 -0.683 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.323 178.46 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.782 HG12 HD13 ' A' ' 104' ' ' ILE . 40.2 mt -57.98 -46.8 87.73 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.803 -179.498 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -54.04 -48.34 70.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.371 0.605 . . . . 0.0 110.808 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -63.37 -41.91 98.84 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.06 -0.973 . . . . 0.0 110.136 -179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.755 HG23 ' HE3' ' A' ' 80' ' ' MET . 1.4 mp -73.48 -52.88 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.282 0 CA-C-N 114.063 -1.426 . . . . 0.0 112.91 -174.047 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.966 HG23 ' HA ' ' A' ' 108' ' ' ILE . 7.4 p -52.02 -50.83 33.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 122.054 0.931 . . . . 0.0 111.869 -176.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.484 ' HG3' HG13 ' A' ' 77' ' ' VAL . 43.0 mt-10 -62.67 -34.52 77.27 Favored 'General case' 0 C--N 1.3 -1.548 0 CA-C-N 114.022 -1.444 . . . . 0.0 112.384 178.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB1' ' CD2' ' A' ' 85' ' ' HIS . . . -66.48 -37.34 84.89 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.275 174.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' MET . . . . . 0.755 ' HE3' HG23 ' A' ' 76' ' ' ILE . 17.6 mmt -49.52 -14.03 0.1 Allowed 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 172.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.7 p -67.09 -26.81 66.9 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-O 121.617 0.722 . . . . 0.0 109.543 176.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -75.73 -16.86 60.09 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.57 174.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.61 32.04 72.57 Favored Glycine 0 C--N 1.332 0.349 0 CA-C-N 115.071 -0.968 . . . . 0.0 113.669 -178.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -160.34 76.41 0.6 Allowed 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 117.34 0.57 . . . . 0.0 112.15 -175.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.481 ' CD2' ' HB1' ' A' ' 79' ' ' ALA . 80.4 m-70 -149.38 -65.15 0.22 Allowed 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 111.939 0.348 . . . . 0.0 111.939 175.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.42 ' CE1' HG12 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -64.28 156.14 29.89 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -166.501 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 87' ' ' ILE . 3.2 mp -120.82 -96.6 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.254 -1.339 . . . . 0.0 111.081 -164.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.441 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 19.0 m120 -142.66 -63.47 0.42 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 116.855 -0.157 . . . . 0.0 110.886 -177.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.473 ' HB3' ' H ' ' A' ' 90' ' ' THR . 74.2 m-85 71.64 -157.32 0.11 Allowed 'General case' 0 N--CA 1.467 0.403 0 O-C-N 123.465 0.478 . . . . 0.0 111.313 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.473 ' H ' ' HB3' ' A' ' 89' ' ' PHE . 56.8 p 51.19 69.68 0.62 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 121.727 0.775 . . . . 0.0 111.449 -173.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.413 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 20.0 tptm -82.41 -69.47 0.62 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.002 -0.999 . . . . 0.0 110.111 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 2.4 m -57.24 -31.96 39.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.855 174.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 21.7 t60 61.49 80.48 0.22 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-O 121.426 0.631 . . . . 0.0 111.786 168.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -125.98 158.63 34.76 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.428 176.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -46.1 -41.03 11.76 Favored 'General case' 0 C--O 1.234 0.259 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -56.85 -42.18 79.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.876 -179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . 0.469 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . 10.1 t -78.89 -31.91 45.63 Favored 'General case' 0 N--CA 1.451 -0.402 0 N-CA-C 110.097 -0.334 . . . . 0.0 110.097 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -55.3 -51.77 65.62 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 109.766 -0.457 . . . . 0.0 109.766 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.513 ' HB3' HG11 ' A' ' 63' ' ' VAL . 9.5 m-30 -63.12 -40.73 98.46 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 121.142 0.496 . . . . 0.0 111.206 175.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.465 ' O ' HG22 ' A' ' 104' ' ' ILE . . . -57.2 -38.24 73.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.289 -0.869 . . . . 0.0 111.035 -177.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.411 HG22 ' CD1' ' A' ' 131' ' ' LEU . 20.7 m -59.84 -34.14 72.71 Favored 'General case' 0 N--CA 1.443 -0.798 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.587 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.638 HG13 HD21 ' A' ' 131' ' ' LEU . 2.1 mp -70.12 -52.41 30.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.547 -0.297 . . . . 0.0 110.23 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . 0.613 ' HA3' ' HA ' ' A' ' 61' ' ' ASP . . . -65.39 -42.46 95.96 Favored Glycine 0 C--N 1.333 0.414 0 C-N-CA 120.844 -0.693 . . . . 0.0 114.068 -174.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ILE . . . . . 0.782 HD13 HG12 ' A' ' 73' ' ' ILE . 4.8 tp -56.54 -46.81 82.59 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.701 0 CA-C-O 120.964 0.411 . . . . 0.0 109.964 178.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' CYS . . . . . 0.576 ' HA ' HD12 ' A' ' 108' ' ' ILE . 73.4 m -71.75 -25.25 61.97 Favored 'General case' 0 N--CA 1.444 -0.769 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.32 178.287 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.48 ' O ' ' HG2' ' A' ' 110' ' ' GLU . . . -70.23 -41.23 73.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 121.069 0.461 . . . . 0.0 110.085 179.084 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -33.36 75.79 Favored 'General case' 0 CA--C 1.519 -0.23 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.064 -177.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.966 ' HA ' HG23 ' A' ' 77' ' ' VAL . 37.4 mt -66.35 -52.99 40.88 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.867 0 CA-C-N 114.892 -1.049 . . . . 0.0 111.847 178.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.727 HG21 HG23 ' A' ' 34' ' ' ILE . 10.9 t -66.03 -31.82 72.93 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.75 -0.659 . . . . 0.0 112.021 -173.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.619 ' HB3' ' HB3' ' A' ' 37' ' ' ARG . 8.9 pt-20 -75.24 -46.59 32.81 Favored 'General case' 0 C--N 1.331 -0.239 0 O-C-N 122.217 -0.302 . . . . 0.0 111.805 -176.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -53.47 -35.56 60.68 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.981 0.42 . . . . 0.0 111.629 -172.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' TRP . . . . . 0.516 ' HZ2' ' HB3' ' A' ' 80' ' ' MET . 51.9 m0 -58.32 -18.92 30.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.42 ' HA2' HG13 ' A' ' 42' ' ' VAL . . . -69.58 -36.2 76.01 Favored Glycine 0 CA--C 1.523 0.583 0 C-N-CA 121.212 -0.518 . . . . 0.0 114.084 -168.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' TYR . . . . . 0.536 ' CE1' HG23 ' A' ' 41' ' ' ILE . 26.9 m-85 -58.53 -61.7 2.4 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 117.406 0.603 . . . . 0.0 111.644 -172.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -111.5 14.99 21.4 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -178.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 61.9 mttm 64.24 71.83 0.47 Allowed 'General case' 0 N--CA 1.465 0.319 0 O-C-N 123.596 0.56 . . . . 0.0 111.05 177.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' A' ' 112' ' ' TRP . 7.7 mt -95.06 157.35 3.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.455 -174.409 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.4 t 71.5 -171.74 0.16 Allowed 'General case' 0 C--O 1.236 0.344 0 O-C-N 123.791 0.682 . . . . 0.0 110.528 176.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 57.09 49.03 14.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.077 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 45.2 m -79.3 161.0 26.56 Favored 'General case' 0 C--O 1.238 0.49 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.313 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? 70.4 -75.6 0.07 Allowed 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.791 0.682 . . . . 0.0 109.588 -175.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -175.37 114.78 0.14 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.314 173.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -163.71 140.07 6.78 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 172.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -156.59 34.5 0.31 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 177.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 84.9 mt -132.45 137.78 47.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.16 -174.317 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 170.65 103.76 0.17 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.142 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 -95.32 103.08 14.93 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.505 HG21 HG13 ' A' ' 34' ' ' ILE . 17.3 tt -82.34 -7.0 10.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.119 -173.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.3 m -58.71 -23.78 60.27 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.579 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -71.52 -9.44 58.21 Favored 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 178.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.638 HD21 HG13 ' A' ' 102' ' ' ILE . 0.0 OUTLIER -80.02 -15.32 57.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.319 0.581 . . . . 0.0 110.565 -176.679 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' MET . . . . . 0.573 ' HE1' ' HB3' ' A' ' 136' ' ' ASN . 4.4 ppp? -137.37 179.32 6.47 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.435 -0.802 . . . . 0.0 108.855 178.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' THR . . . . . 0.568 ' O ' HD12 ' A' ' 137' ' ' ILE . 18.0 p -132.81 154.71 50.03 Favored 'General case' 0 CA--C 1.506 -0.732 0 C-N-CA 120.821 -0.352 . . . . 0.0 111.272 -170.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . 0.958 ' HA ' HD13 ' A' ' 137' ' ' ILE . 0.8 OUTLIER -50.88 -27.66 7.95 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.782 170.488 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -71.62 -30.38 65.71 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.471 178.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . 0.573 ' HB3' ' HE1' ' A' ' 132' ' ' MET . 12.4 t-20 -78.14 -28.89 48.53 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 -176.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.958 HD13 ' HA ' ' A' ' 134' ' ' ASP . 0.8 OUTLIER -58.06 -37.4 61.45 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 114.058 -1.428 . . . . 0.0 109.821 177.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASN . . . . . 0.523 ' O ' HD13 ' A' ' 142' ' ' LEU . 26.3 m-80 -62.24 -44.91 95.49 Favored 'General case' 0 N--CA 1.44 -0.974 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.487 177.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ILE . . . . . 0.573 HD13 ' HA ' ' A' ' 136' ' ' ASN . 3.2 mp -61.92 -42.05 93.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.718 0.771 . . . . 0.0 108.955 178.092 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.633 ' O ' ' HG ' ' A' ' 144' ' ' LEU . 0.0 OUTLIER -62.6 -53.85 48.45 Favored 'General case' 0 N--CA 1.431 -1.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 111.397 -176.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.618 ' HA ' HD11 ' A' ' 20' ' ' ILE . 22.2 mm -50.95 -44.92 28.18 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.31 0 CA-C-O 121.274 0.559 . . . . 0.0 109.808 175.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.523 HD13 ' O ' ' A' ' 138' ' ' ASN . 1.0 OUTLIER -66.34 -48.65 69.57 Favored 'General case' 0 C--N 1.311 -1.079 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.864 -176.594 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' PHE . . . . . . . . . . . . . 65.6 t80 -56.4 -46.67 80.05 Favored 'General case' 0 CA--C 1.5 -0.972 0 CA-C-O 122.052 0.929 . . . . 0.0 110.438 178.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' LEU . . . . . 0.75 ' HB3' ' HG ' ' A' ' 148' ' ' LEU . 50.7 mt -67.68 -43.41 80.22 Favored 'General case' 0 C--N 1.301 -1.536 0 CA-C-N 114.035 -1.439 . . . . 0.0 110.36 -178.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLU . . . . . 0.509 ' HG3' HG12 ' A' ' 20' ' ' ILE . 14.6 mt-10 -52.55 -23.96 7.31 Favored 'General case' 0 CA--C 1.507 -0.701 0 O-C-N 124.063 0.852 . . . . 0.0 112.795 -178.527 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' LYS . . . . . 0.613 ' HB2' ' CE ' ' A' ' 147' ' ' LYS . 72.5 mmtt -48.5 -39.39 23.0 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.021 172.384 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.613 ' CE ' ' HB2' ' A' ' 146' ' ' LYS . 0.0 OUTLIER -119.47 -29.3 5.15 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-O 122.448 1.118 . . . . 0.0 109.789 178.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.756 ' HB3' ' HB ' ' A' ' 20' ' ' ILE . 0.2 OUTLIER -74.45 177.33 6.04 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 113.109 -1.86 . . . . 0.0 109.69 172.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASN . . . . . 0.5 ' HB2' HG21 ' A' ' 20' ' ' ILE . 51.7 t30 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 119.004 -0.522 . . . . 0.0 111.02 -173.895 . . . . . . . . 1 1 . 1 stop_ save_