data_2mmh_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 2mmh _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.015 -1.634 . . . . 100.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.03 166.99 21.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.366 -0.976 . . . . 100.0 108.366 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.11 73.7 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.944 -1.872 . . . . 100.0 105.944 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.58 157.94 44.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.809 -1.922 . . . . 100.0 105.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.05 58.73 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.195 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.83 23.26 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.781 1.632 . . . . 100.0 113.459 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.8 p 50.02 48.92 21.25 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.694 1.998 . . . . 100.0 113.692 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.43 132.32 44.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.369 -0.974 . . . . 100.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.67 -0.11 57.54 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 100.0 111.735 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.701 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.25 25.12 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.713 2.405 . . . . 100.0 113.168 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.18 8.89 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.3 -0.864 . . . . 100.0 110.504 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.25 52.83 12.83 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 115.855 1.798 . . . . 100.0 115.855 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.1 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.157 0.98 . . . . 100.0 112.127 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 100.0 m -166.32 177.62 6.7 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 127.235 2.214 . . . . 100.0 107.951 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.94 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.108 -1.812 . . . . 100.0 106.108 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.12 -174.23 3.5 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 124.889 1.275 . . . . 100.0 108.021 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.66 -43.24 97.85 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.316 3.451 . . . . 100.0 120.316 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.66 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.35 -178.65 6.98 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 118.078 2.621 . . . . 100.0 118.078 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.6 p -71.96 167.68 19.59 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.785 2.034 . . . . 100.0 112.107 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.9 m-85 -60.31 -39.22 86.2 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.553 1.141 . . . . 100.0 109.764 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.57 -39.17 90.19 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.588 1.555 . . . . 100.0 109.38 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.24 8.95 35.88 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.102 1.361 . . . . 100.0 112.452 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.2 m -58.72 -44.93 99.58 Favored Pre-proline 0 C--N 1.371 1.54 0 CA-C-O 116.089 -1.91 . . . . 100.0 114.138 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.54 -35.46 90.11 Favored 'Trans proline' 0 C--N 1.378 2.115 0 CA-C-N 122.742 2.015 . . . . 100.0 112.221 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.83 -39.34 90.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.168 1.387 . . . . 100.0 110.968 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.36 -9.93 57.62 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.557 1.543 . . . . 100.0 111.046 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.75 39.24 14.32 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.89 2.076 . . . . 100.0 107.968 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.38 95.65 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.214 -1.357 . . . . 100.0 110.959 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.1 -46.13 90.4 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.563 0.745 . . . . 100.0 109.791 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.68 -38.45 86.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.194 1.183 . . . . 100.0 114.194 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.272 78.2 m-85 68.08 18.95 9.37 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.351 1.86 . . . . 100.0 111.688 -174.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -118.98 125.51 49.57 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 26.9 t-20 -78.51 126.58 30.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.227 0.537 . . . . 100.0 110.995 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.581 0 C-N-CA 125.454 1.502 . . . . 100.0 114.089 -179.303 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HZ1' ' HB3' ' A' ' 33' ' ' ASN . 97.2 mttt . . . . . 0 CA--C 1.477 -1.846 0 N-CA-C 105.254 -2.128 . . . . 100.0 105.254 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -70.03 -40.8 74.98 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 113.862 -1.517 . . . . 100.0 109.363 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -63.13 -45.4 92.16 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 125.053 1.341 . . . . 100.0 111.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -83.68 149.13 26.7 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.665 0.745 . . . . 100.0 111.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -93.29 125.36 37.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.554 -1.203 . . . . 100.0 112.746 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 m95 52.17 40.38 28.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.42 2.288 . . . . 100.0 112.606 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.63 -47.37 88.26 Favored Pre-proline 0 N--CA 1.439 -0.983 0 CA-C-O 117.094 -1.431 . . . . 100.0 113.644 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.8 -38.86 67.28 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.191 1.927 . . . . 100.0 111.276 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -64.07 -40.52 96.44 Favored 'General case' 0 N--CA 1.432 -1.355 0 O-C-N 124.625 1.203 . . . . 100.0 111.833 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.81 -44.23 96.7 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 122.89 0.476 . . . . 100.0 110.156 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -40.32 90.03 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 113.289 0.848 . . . . 100.0 113.289 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.74 128.62 36.98 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 113.001 0.741 . . . . 100.0 113.001 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -66.87 -45.41 78.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.158 1.383 . . . . 100.0 109.32 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -118.74 131.53 56.13 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 106.652 -1.61 . . . . 100.0 106.652 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.46 12.44 58.31 Favored Glycine 0 N--CA 1.435 -1.369 0 CA-C-O 118.235 -1.314 . . . . 100.0 113.705 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.41 -46.35 90.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.871 1.335 . . . . 100.0 113.429 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.76 -46.21 72.72 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 118.023 0.374 . . . . 100.0 111.441 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.85 60.06 3.81 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.786 1.032 . . . . 100.0 113.786 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.59 153.62 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 105.84 -1.911 . . . . 100.0 105.84 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.85 156.3 36.6 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.919 -1.141 . . . . 100.0 107.919 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -60.04 -44.36 96.44 Favored Pre-proline 0 C--N 1.353 0.735 0 N-CA-C 117.232 2.308 . . . . 100.0 117.232 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.61 -24.98 75.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.302 2.002 . . . . 100.0 115.87 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -110.16 121.96 46.5 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 119.276 0.943 . . . . 100.0 109.295 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.69 120.32 38.96 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 122.047 0.927 . . . . 100.0 108.556 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.35 -41.62 98.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.602 1.561 . . . . 100.0 111.594 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.5 mtp -61.38 -45.69 93.32 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.485 0.714 . . . . 100.0 112.488 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -66.34 -40.24 89.73 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 115.56 1.689 . . . . 100.0 115.56 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.48 121.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 108.246 -1.02 . . . . 100.0 108.246 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.84 -42.8 95.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 C-N-CA 125.237 1.415 . . . . 100.0 110.213 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -78.14 148.95 33.91 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-O 121.1 0.476 . . . . 100.0 111.258 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 54.1 42.04 31.75 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.877 1.671 . . . . 100.0 113.392 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -80.25 132.2 35.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 104.421 -2.437 . . . . 100.0 104.421 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--O 1.258 1.509 0 CA-C-O 117.523 -1.227 . . . . 100.0 107.762 179.774 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 108.961 -1.655 . . . . 100.0 108.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.12 167.04 20.88 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.36 -0.978 . . . . 100.0 108.36 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 105.97 -1.863 . . . . 100.0 105.97 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.53 157.98 44.43 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 105.829 -1.915 . . . . 100.0 105.829 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.426 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.35 139.08 58.73 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.648 -0.705 . . . . 100.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.849 1.66 . . . . 100.0 113.441 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.6 p 50.02 48.85 21.36 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.656 1.983 . . . . 100.0 113.742 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.37 132.33 44.69 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.356 -0.979 . . . . 100.0 108.356 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.75 -0.02 57.52 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.795 1.238 . . . . 100.0 111.709 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.29 25.24 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.666 2.386 . . . . 100.0 113.204 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.72 26.26 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.476 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.12 52.95 12.7 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 115.823 1.786 . . . . 100.0 115.823 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.15 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-O 122.152 0.977 . . . . 100.0 112.076 -179.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.0 m -166.39 177.63 6.65 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 127.303 2.241 . . . . 100.0 108.02 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.91 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.064 -1.828 . . . . 100.0 106.064 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.14 -174.16 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.864 1.266 . . . . 100.0 107.992 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.68 -43.26 97.91 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 120.317 3.451 . . . . 100.0 120.317 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.668 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.32 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 118.091 2.626 . . . . 100.0 118.091 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.8 p -71.94 167.68 19.58 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.779 2.032 . . . . 100.0 112.171 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.525 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.35 -39.15 86.12 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.509 1.124 . . . . 100.0 109.757 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.59 -39.22 90.43 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.611 1.565 . . . . 100.0 109.376 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.19 8.92 35.88 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.078 1.351 . . . . 100.0 112.493 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m -58.63 -44.94 99.62 Favored Pre-proline 0 C--N 1.371 1.542 0 CA-C-O 116.141 -1.885 . . . . 100.0 114.181 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.55 -35.48 89.95 Favored 'Trans proline' 0 C--N 1.378 2.096 0 CA-C-N 122.744 2.016 . . . . 100.0 112.174 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -39.38 90.63 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.183 1.393 . . . . 100.0 110.908 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.34 -9.96 57.64 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.531 1.532 . . . . 100.0 111.063 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.22 14.23 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.861 2.065 . . . . 100.0 107.952 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.42 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.437 0 CA-C-N 114.207 -1.361 . . . . 100.0 110.951 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.19 -45.37 93.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.647 0.779 . . . . 100.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.0 -38.77 92.05 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 128.312 2.645 . . . . 100.0 113.429 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.253 88.2 m-85 72.12 11.49 6.0 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.971 2.108 . . . . 100.0 114.516 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -118.29 127.34 53.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 101.649 -3.463 . . . . 100.0 101.649 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -82.89 122.08 27.78 Favored 'General case' 0 CA--C 1.492 -1.255 0 CA-C-O 121.123 0.487 . . . . 100.0 111.286 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.514 0 C-N-CA 126.264 1.888 . . . . 100.0 112.821 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 CA--C 1.482 -1.673 0 N-CA-C 105.962 -1.866 . . . . 100.0 105.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.99 -39.95 83.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.599 -1.182 . . . . 100.0 108.935 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.34 -45.6 93.76 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.218 1.407 . . . . 100.0 112.06 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.31 148.45 25.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 121.612 0.72 . . . . 100.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.01 125.09 39.44 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.953 -1.021 . . . . 100.0 108.63 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.252 40.4 m0 52.79 39.11 28.19 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.97 1.841 . . . . 100.0 115.97 179.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.69 -48.27 80.4 Favored Pre-proline 0 N--CA 1.441 -0.922 0 CA-C-O 117.29 -1.338 . . . . 100.0 111.077 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.77 -37.87 64.33 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.117 1.878 . . . . 100.0 112.127 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.9 mp0 -63.22 -41.15 99.08 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.198 0.936 . . . . 100.0 111.724 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.0 -43.75 97.93 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.265 0.353 . . . . 100.0 110.484 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -42.34 96.82 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.762 0.825 . . . . 100.0 112.517 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.51 128.23 35.43 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.827 1.047 . . . . 100.0 113.827 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.8 m -66.76 -44.12 82.29 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.059 1.344 . . . . 100.0 108.42 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -117.02 130.14 56.48 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 107.67 -1.233 . . . . 100.0 107.67 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.29 11.62 60.08 Favored Glycine 0 N--CA 1.436 -1.342 0 CA-C-O 118.16 -1.356 . . . . 100.0 114.869 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.52 -44.04 96.46 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 115.487 1.662 . . . . 100.0 115.487 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -66.41 -46.41 76.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 118.419 0.554 . . . . 100.0 110.777 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -92.07 61.4 3.99 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.562 0.949 . . . . 100.0 113.562 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.4 p -145.88 156.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 107.366 -1.346 . . . . 100.0 107.366 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -73.04 153.49 40.85 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.116 -1.438 . . . . 100.0 107.116 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -61.01 -43.71 92.04 Favored Pre-proline 0 C--N 1.354 0.773 0 N-CA-C 115.712 1.745 . . . . 100.0 115.712 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.95 -31.14 91.15 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.294 1.996 . . . . 100.0 115.544 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -109.72 126.19 53.45 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-N 119.001 0.818 . . . . 100.0 111.476 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.4 mt -113.55 120.85 42.4 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 107.328 -1.36 . . . . 100.0 107.328 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.44 -42.34 99.39 Favored 'General case' 0 CA--C 1.495 -1.169 0 C-N-CA 125.23 1.412 . . . . 100.0 112.934 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.4 mtm -63.44 -42.22 98.67 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 112.345 0.498 . . . . 100.0 112.345 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.26 -42.57 96.4 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 114.428 1.27 . . . . 100.0 114.428 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.06 123.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 108.903 -0.777 . . . . 100.0 108.903 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -42.21 94.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.955 1.302 . . . . 100.0 109.792 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.9 144.12 49.1 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.017 0.927 . . . . 100.0 111.031 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.09 41.24 32.1 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.011 1.724 . . . . 100.0 113.966 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.2 m -81.73 131.03 35.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--O 1.257 1.489 0 N-CA-C 107.389 -1.338 . . . . 100.0 107.389 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 108.988 -1.645 . . . . 100.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.02 166.99 21.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.393 -0.966 . . . . 100.0 108.393 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.13 73.74 10.05 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.99 44.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.77 -1.937 . . . . 100.0 105.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.37 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.92 33.9 23.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.808 1.643 . . . . 100.0 113.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 63.0 p 49.97 48.86 21.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.677 1.991 . . . . 100.0 113.76 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.716 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.35 132.34 44.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.362 -0.977 . . . . 100.0 108.362 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.71 -0.13 57.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.844 1.258 . . . . 100.0 111.687 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.716 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.22 25.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.666 2.386 . . . . 100.0 113.218 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.51 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.13 52.97 12.67 Favored 'General case' 0 C--N 1.361 1.101 0 N-CA-C 115.83 1.789 . . . . 100.0 115.83 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.755 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-O 122.113 0.958 . . . . 100.0 112.133 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.8 m -166.3 177.63 6.71 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 127.208 2.203 . . . . 100.0 107.967 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.91 99.71 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.107 -1.812 . . . . 100.0 106.107 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.21 -174.2 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.875 1.27 . . . . 100.0 107.959 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.27 97.78 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 120.276 3.436 . . . . 100.0 120.276 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.659 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 118.005 2.594 . . . . 100.0 118.005 -176.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -72.0 167.67 19.66 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.739 2.016 . . . . 100.0 112.169 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.519 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.31 -39.21 86.2 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 124.508 1.123 . . . . 100.0 109.77 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.12 90.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.574 1.549 . . . . 100.0 109.401 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.29 8.94 36.01 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 125.104 1.361 . . . . 100.0 112.463 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.62 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.15 -1.881 . . . . 100.0 114.155 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -60.56 -35.44 90.09 Favored 'Trans proline' 0 C--N 1.378 2.124 0 CA-C-N 122.704 2.001 . . . . 100.0 112.208 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.89 -39.34 90.55 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.183 1.393 . . . . 100.0 110.911 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.38 -9.93 57.64 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.555 1.542 . . . . 100.0 111.028 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.5 m 61.78 39.26 14.2 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.899 2.079 . . . . 100.0 107.921 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.45 -40.42 95.68 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 114.259 -1.337 . . . . 100.0 110.914 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -48.0 82.17 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 123.609 0.764 . . . . 100.0 109.755 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -64.2 -38.88 92.64 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 126.044 1.737 . . . . 100.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 70.9 10.99 7.07 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.496 1.919 . . . . 100.0 112.716 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.471 HH21 ' HD1' ' A' ' 45' ' ' TYR . 72.7 mtp85 -114.99 122.97 47.88 Favored 'General case' 0 CA--C 1.495 -1.139 1 N-CA-C 98.23 -4.73 . . . . 100.0 98.23 177.473 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -81.81 128.15 33.71 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 116.085 -0.507 . . . . 100.0 109.697 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.552 0 C-N-CA 125.088 1.328 . . . . 100.0 113.007 -179.086 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 41' ' ' ASP . 88.2 tttt . . . . . 0 N--CA 1.428 -1.537 0 N-CA-C 105.604 -1.999 . . . . 100.0 105.604 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -65.85 -37.66 86.76 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-N 114.397 -1.274 . . . . 100.0 113.704 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 82.1 m-20 -61.02 -44.78 96.91 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.321 1.048 . . . . 100.0 110.588 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -85.95 147.1 26.39 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.358 0.599 . . . . 100.0 110.162 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.84 127.38 42.76 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.398 -0.819 . . . . 100.0 111.038 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 53.85 37.48 26.55 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.626 2.37 . . . . 100.0 112.301 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.471 ' HD1' HH21 ' A' ' 32' ' ' ARG . 41.4 t80 -63.65 -47.87 81.43 Favored Pre-proline 0 C--N 1.359 1.007 0 CA-C-O 117.215 -1.374 . . . . 100.0 113.724 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.17 -36.67 68.0 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.913 1.742 . . . . 100.0 111.776 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -64.52 -39.8 94.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.049 0.94 . . . . 100.0 111.738 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.76 -45.2 93.78 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 122.857 0.463 . . . . 100.0 109.783 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.44 -42.02 96.24 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 113.075 0.769 . . . . 100.0 113.075 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -73.48 126.84 31.14 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 122.119 0.961 . . . . 100.0 113.362 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -66.68 -43.35 84.67 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.252 1.421 . . . . 100.0 109.885 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -113.9 128.68 56.5 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 106.813 -1.551 . . . . 100.0 106.813 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.01 10.4 56.99 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 118.521 -1.155 . . . . 100.0 113.995 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.55 -46.35 90.53 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.658 1.229 . . . . 100.0 112.97 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.27 -47.85 72.34 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 122.827 0.451 . . . . 100.0 111.395 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -92.82 64.36 4.02 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 113.669 0.988 . . . . 100.0 113.669 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 p -148.29 155.77 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 106.981 -1.489 . . . . 100.0 106.981 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -72.03 152.76 42.19 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.437 1.495 . . . . 100.0 107.166 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.24 -44.57 93.84 Favored Pre-proline 0 C--N 1.353 0.724 0 CA-C-O 116.927 -1.511 . . . . 100.0 115.046 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.49 -23.5 64.53 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.458 2.105 . . . . 100.0 115.747 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -108.26 120.22 41.74 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 119.303 0.956 . . . . 100.0 108.592 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.85 119.43 35.38 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.938 0.875 . . . . 100.0 108.735 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.95 -41.75 99.6 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 125.432 1.493 . . . . 100.0 111.827 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.09 -44.67 96.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.108 0.963 . . . . 100.0 111.768 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.92 -42.65 94.51 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 115.248 1.573 . . . . 100.0 115.248 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.61 123.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.01 -43.99 97.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 C-N-CA 125.238 1.415 . . . . 100.0 109.824 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.03 146.88 41.19 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 121.213 0.53 . . . . 100.0 112.121 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 54.01 42.35 31.68 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.144 1.778 . . . . 100.0 113.71 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -81.95 130.89 35.21 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 105.436 -2.061 . . . . 100.0 105.436 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--O 1.258 1.501 0 CA-C-O 117.246 -1.359 . . . . 100.0 108.95 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 108.977 -1.649 . . . . 100.0 108.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 166.97 21.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.37 -0.974 . . . . 100.0 108.37 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.984 -1.858 . . . . 100.0 105.984 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.59 157.97 44.43 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 105.806 -1.924 . . . . 100.0 105.806 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.428 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.31 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.625 -0.716 . . . . 100.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.841 1.656 . . . . 100.0 113.424 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.2 p 49.99 48.88 21.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.644 1.977 . . . . 100.0 113.716 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.6 m -71.4 132.36 44.7 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.347 -0.983 . . . . 100.0 108.347 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.69 -0.15 57.54 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.871 1.268 . . . . 100.0 111.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.71 ' H ' HG23 ' A' ' 8' ' ' THR . 72.7 mt-10 58.51 36.26 25.14 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.708 2.403 . . . . 100.0 113.17 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.474 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.68 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.33 -0.85 . . . . 100.0 110.496 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.96 12.67 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 115.807 1.78 . . . . 100.0 115.807 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.15 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 CA-C-O 122.092 0.949 . . . . 100.0 112.117 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.3 m -166.36 177.62 6.68 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 127.28 2.232 . . . . 100.0 107.965 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.065 -1.828 . . . . 100.0 106.065 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.16 -174.17 3.47 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 124.84 1.256 . . . . 100.0 108.017 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -60.71 -43.22 98.1 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.284 3.439 . . . . 100.0 120.284 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.658 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 118.073 2.62 . . . . 100.0 118.073 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.404 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.1 p -71.95 167.66 19.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.804 2.042 . . . . 100.0 112.158 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.526 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.34 -39.19 86.21 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.519 1.128 . . . . 100.0 109.755 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.19 90.26 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.627 1.571 . . . . 100.0 109.378 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.27 9.0 35.75 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.08 1.352 . . . . 100.0 112.446 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.69 -44.99 99.65 Favored Pre-proline 0 C--N 1.371 1.539 0 CA-C-O 116.109 -1.901 . . . . 100.0 114.12 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.48 -35.52 90.13 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-N 122.771 2.025 . . . . 100.0 112.202 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.255 1.422 . . . . 100.0 110.886 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.587 1.555 . . . . 100.0 111.037 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.19 14.27 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.837 2.055 . . . . 100.0 107.947 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.41 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 114.269 -1.332 . . . . 100.0 110.955 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.17 -47.3 85.14 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.609 0.764 . . . . 100.0 109.708 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.32 -38.08 84.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.81 1.244 . . . . 100.0 114.235 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.28 77.9 m-85 68.54 16.98 9.09 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.024 1.73 . . . . 100.0 112.441 -175.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -116.67 123.0 46.19 Favored 'General case' 0 N--CA 1.434 -1.274 1 N-CA-C 100.113 -4.032 . . . . 100.0 100.113 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.57 126.71 34.09 Favored 'General case' 0 CA--C 1.483 -1.603 0 C-N-CA 119.094 -1.042 . . . . 100.0 112.634 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 CA-C-N 113.382 -1.736 . . . . 100.0 111.55 179.1 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 CA--C 1.488 -1.407 0 N-CA-C 104.582 -2.377 . . . . 100.0 104.582 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -66.67 -39.2 88.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.959 -1.019 . . . . 100.0 113.053 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.82 -43.65 98.24 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.959 0.904 . . . . 100.0 110.832 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -77.44 145.81 36.9 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.868 0.867 . . . . 100.0 108.888 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -101.41 124.91 47.85 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 107.811 -1.181 . . . . 100.0 107.811 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.312 44.0 m0 53.32 40.42 31.29 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 127.125 2.17 . . . . 100.0 116.199 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.88 -46.15 81.37 Favored Pre-proline 0 C--N 1.36 1.033 0 CA-C-O 117.361 -1.304 . . . . 100.0 110.15 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.87 -39.14 64.32 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.55 2.166 . . . . 100.0 111.385 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.6 mp0 -63.33 -41.15 98.88 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 124.327 1.017 . . . . 100.0 111.853 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.29 -43.96 96.42 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 123.249 0.343 . . . . 100.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -40.04 88.81 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.931 1.086 . . . . 100.0 113.931 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.07 128.59 37.11 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 123.418 0.687 . . . . 100.0 111.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.5 m -66.41 -44.05 84.06 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.723 1.209 . . . . 100.0 109.928 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -121.65 133.17 54.97 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.485 -1.672 . . . . 100.0 106.485 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.9 13.81 57.52 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-O 117.567 -1.685 . . . . 100.0 116.422 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.8 -44.18 97.19 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.919 1.86 . . . . 100.0 113.417 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.04 -47.15 78.38 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.114 0.416 . . . . 100.0 111.328 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -92.22 61.48 3.92 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 112.379 0.511 . . . . 100.0 112.379 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 p -144.15 154.99 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 106.584 -1.636 . . . . 100.0 106.584 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -73.04 151.98 41.48 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.149 -1.797 . . . . 100.0 106.149 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -61.54 -43.84 90.04 Favored Pre-proline 0 C--N 1.354 0.799 0 N-CA-C 115.784 1.772 . . . . 100.0 115.784 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -61.54 -30.38 86.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.431 2.087 . . . . 100.0 115.817 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -113.21 126.24 55.21 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 119.369 0.986 . . . . 100.0 111.176 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.59 123.61 50.37 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 108.418 -0.956 . . . . 100.0 108.418 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.59 -40.04 95.63 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 125.479 1.511 . . . . 100.0 111.918 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 72.7 mtm -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.552 0.741 . . . . 100.0 110.963 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.91 -43.09 93.96 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 115.074 1.509 . . . . 100.0 115.074 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -108.69 122.74 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 N-CA-C 108.437 -0.949 . . . . 100.0 108.437 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.15 -41.17 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 125.093 1.357 . . . . 100.0 108.562 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.07 142.85 47.61 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.718 0.807 . . . . 100.0 110.886 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 53.82 42.22 31.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.521 1.528 . . . . 100.0 113.982 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -76.16 131.84 39.62 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.147 -2.538 . . . . 100.0 104.147 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--O 1.258 1.534 0 N-CA-C 107.23 -1.396 . . . . 100.0 107.23 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 109.011 -1.636 . . . . 100.0 109.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -80.08 166.98 20.98 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.358 -0.978 . . . . 100.0 108.358 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 m -83.1 73.72 10.05 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 105.977 -1.86 . . . . 100.0 105.977 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.98 44.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 105.814 -1.921 . . . . 100.0 105.814 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.419 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.29 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.692 -0.686 . . . . 100.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.93 23.34 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.835 1.654 . . . . 100.0 113.414 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.1 p 49.99 48.84 21.34 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.629 1.972 . . . . 100.0 113.76 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.01 57.52 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.803 1.241 . . . . 100.0 111.72 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.705 ' H ' HG23 ' A' ' 8' ' ' THR . 72.7 mt-10 58.36 36.28 25.38 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.665 2.386 . . . . 100.0 113.26 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.22 8.85 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.266 -0.879 . . . . 100.0 110.457 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.94 12.72 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 115.856 1.799 . . . . 100.0 115.856 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.788 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.12 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-O 122.143 0.973 . . . . 100.0 112.118 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.9 m -166.34 177.58 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.244 2.218 . . . . 100.0 107.942 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.99 99.77 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 106.093 -1.818 . . . . 100.0 106.093 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.13 -174.22 3.49 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.894 1.278 . . . . 100.0 108.025 177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.66 -43.23 97.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 120.298 3.444 . . . . 100.0 120.298 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.664 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.37 -178.7 6.99 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 118.043 2.609 . . . . 100.0 118.043 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.4 p -71.92 167.63 19.67 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.815 2.046 . . . . 100.0 112.136 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.23 86.13 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.513 1.125 . . . . 100.0 109.785 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.58 -39.13 90.08 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.561 1.544 . . . . 100.0 109.384 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.23 8.93 35.95 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.122 1.369 . . . . 100.0 112.433 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.73 -44.9 99.54 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.131 -1.89 . . . . 100.0 114.15 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.6 -35.4 89.99 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 122.729 2.01 . . . . 100.0 112.218 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.86 -39.4 90.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.233 1.413 . . . . 100.0 110.882 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.41 -9.91 57.64 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.57 1.548 . . . . 100.0 111.023 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.81 39.18 14.18 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.851 2.06 . . . . 100.0 107.934 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.44 -40.37 95.6 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.27 -1.332 . . . . 100.0 110.946 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.14 -45.67 92.39 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 123.606 0.762 . . . . 100.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -65.2 -39.26 92.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.096 2.158 . . . . 100.0 114.222 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 72.71 9.59 5.58 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.645 1.978 . . . . 100.0 113.858 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -113.83 124.85 53.24 Favored 'General case' 0 N--CA 1.439 -1.0 1 N-CA-C 99.874 -4.121 . . . . 100.0 99.874 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.491 ' HB3' ' HZ2' ' A' ' 39' ' ' LYS . 54.4 t-20 -96.94 120.25 36.93 Favored 'General case' 0 CA--C 1.495 -1.163 0 C-N-CA 117.77 -1.572 . . . . 100.0 109.457 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.46 0 C-N-CA 125.874 1.702 . . . . 100.0 113.512 179.589 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HZ2' ' HB3' ' A' ' 33' ' ' ASN . 94.4 mttt . . . . . 0 CA--C 1.481 -1.704 0 N-CA-C 103.984 -2.599 . . . . 100.0 103.984 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -66.14 -38.91 89.3 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.094 -1.412 . . . . 100.0 112.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -62.09 -43.79 98.08 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.09 0.956 . . . . 100.0 110.979 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -81.64 146.66 29.95 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.189 0.518 . . . . 100.0 110.549 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.7 124.18 41.92 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.952 -0.759 . . . . 100.0 108.952 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.4 m0 52.93 41.33 31.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.287 2.235 . . . . 100.0 112.91 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.402 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 41.6 t80 -62.89 -46.83 87.73 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 117.188 -1.387 . . . . 100.0 111.553 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 44.8 Cg_endo -61.71 -37.13 70.6 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 122.228 1.952 . . . . 100.0 111.849 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.2 -39.28 92.59 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 124.299 0.999 . . . . 100.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.77 -44.97 95.83 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 124.121 0.968 . . . . 100.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.6 -42.1 92.05 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.054 0.942 . . . . 100.0 113.154 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.22 130.62 41.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 114.077 1.14 . . . . 100.0 114.077 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -65.62 -44.17 87.34 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.378 1.471 . . . . 100.0 109.617 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.83 128.51 56.44 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 108.114 -1.069 . . . . 100.0 108.114 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.47 58.19 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 118.945 -0.919 . . . . 100.0 112.5 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.94 -46.76 88.36 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.308 1.443 . . . . 100.0 112.652 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.61 -46.79 68.34 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 122.276 0.231 . . . . 100.0 111.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -91.75 62.78 4.48 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.358 0.599 . . . . 100.0 112.077 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.59 154.8 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 106.832 -1.544 . . . . 100.0 106.832 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -71.63 149.24 45.78 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.626 -1.99 . . . . 100.0 105.626 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -61.49 -42.72 85.94 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.942 -1.504 . . . . 100.0 114.574 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -60.49 -32.21 93.4 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.256 1.971 . . . . 100.0 115.617 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -108.15 126.25 52.56 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 119.206 0.912 . . . . 100.0 110.793 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.2 mt -113.19 117.69 32.61 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 106.797 -1.557 . . . . 100.0 106.797 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.403 ' HB3' HG21 ' A' ' 70' ' ' THR . 98.8 m-20 -63.02 -41.32 99.52 Favored 'General case' 0 CA--C 1.494 -1.184 0 C-N-CA 125.789 1.636 . . . . 100.0 112.727 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.1 mmt -63.17 -43.95 96.83 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 112.333 0.494 . . . . 100.0 112.333 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.14 -41.08 90.93 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 115.11 1.522 . . . . 100.0 115.11 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.29 122.1 58.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 N-CA-C 108.585 -0.894 . . . . 100.0 108.585 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.22 -42.85 96.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 125.155 1.382 . . . . 100.0 110.24 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -74.18 143.67 45.13 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 112.6 0.593 . . . . 100.0 112.6 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 52.95 41.87 32.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 126.672 1.989 . . . . 100.0 113.454 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 63' ' ' ASP . 22.5 m -81.21 131.4 35.29 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.23 -2.137 . . . . 100.0 105.23 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.259 1.562 0 CA-C-O 117.567 -1.206 . . . . 100.0 108.111 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.003 -1.639 . . . . 100.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.01 167.01 20.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.383 -0.969 . . . . 100.0 108.383 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.14 73.7 10.06 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 105.99 -1.855 . . . . 100.0 105.99 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.97 44.42 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 105.794 -1.928 . . . . 100.0 105.794 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.34 139.11 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.649 -0.705 . . . . 100.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.813 1.645 . . . . 100.0 113.415 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.254 64.9 p 49.98 48.92 21.21 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.723 2.009 . . . . 100.0 113.687 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.715 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.38 132.34 44.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.378 -0.971 . . . . 100.0 108.378 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.04 57.52 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.827 1.251 . . . . 100.0 111.757 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.715 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.42 36.25 25.28 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 127.675 2.39 . . . . 100.0 113.223 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.24 8.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 115.273 -0.876 . . . . 100.0 110.472 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.89 12.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 115.842 1.793 . . . . 100.0 115.842 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.03 120.05 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 122.121 0.962 . . . . 100.0 112.111 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.29 177.62 6.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 127.288 2.235 . . . . 100.0 108.005 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.98 99.77 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 106.084 -1.821 . . . . 100.0 106.084 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.17 3.48 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.911 1.285 . . . . 100.0 108.056 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.7 -43.18 98.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 120.354 3.464 . . . . 100.0 120.354 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.664 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.42 -178.62 6.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 118.061 2.615 . . . . 100.0 118.061 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.2 p -72.0 167.68 19.63 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.769 2.028 . . . . 100.0 112.147 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.524 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.24 -39.31 86.28 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 124.58 1.152 . . . . 100.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.48 -39.25 90.27 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.628 1.571 . . . . 100.0 109.385 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.87 36.05 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.138 1.375 . . . . 100.0 112.479 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.97 99.63 Favored Pre-proline 0 C--N 1.371 1.509 0 CA-C-O 116.129 -1.891 . . . . 100.0 114.094 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.62 -35.4 89.9 Favored 'Trans proline' 0 C--N 1.378 2.118 0 CA-C-N 122.763 2.022 . . . . 100.0 112.211 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.84 -39.4 90.75 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.199 1.4 . . . . 100.0 110.928 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.36 -9.91 57.56 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.555 1.542 . . . . 100.0 111.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m 61.8 39.21 14.2 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.884 2.074 . . . . 100.0 107.911 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.39 -40.38 95.68 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-N 114.248 -1.342 . . . . 100.0 110.932 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.2 -44.61 96.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.592 0.757 . . . . 100.0 109.71 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.79 -37.38 81.96 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.498 1.519 . . . . 100.0 113.835 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.299 75.4 m-85 69.9 17.95 7.4 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.19 1.796 . . . . 100.0 113.481 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.431 HH22 ' HB2' ' A' ' 48' ' ' GLU . 78.6 mtp180 -117.65 126.47 52.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 100.98 -3.711 . . . . 100.0 100.98 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 39' ' ' LYS . 22.1 t-20 -82.36 119.16 23.8 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 107.734 -1.209 . . . . 100.0 107.734 -177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.626 0 C-N-CA 125.389 1.471 . . . . 100.0 114.461 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 33' ' ' ASN . 97.2 mttt . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 103.498 -2.778 . . . . 100.0 103.498 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -66.16 -40.86 90.85 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 115.079 -0.964 . . . . 100.0 112.319 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.32 -42.91 99.04 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.11 0.964 . . . . 100.0 111.556 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -80.13 146.79 31.66 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 121.158 0.504 . . . . 100.0 109.731 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -101.19 127.3 47.82 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 107.705 -1.22 . . . . 100.0 107.705 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 42.5 m0 53.17 41.33 32.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.872 2.069 . . . . 100.0 113.643 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.3 -48.76 82.03 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 117.14 -1.409 . . . . 100.0 110.987 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.91 -37.8 63.29 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 121.924 1.75 . . . . 100.0 112.345 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.8 mp0 -63.28 -41.7 99.01 Favored 'General case' 0 N--CA 1.435 -1.18 0 O-C-N 124.409 1.068 . . . . 100.0 111.775 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HB2' HH22 ' A' ' 32' ' ' ARG . 95.4 mt-10 -63.54 -42.89 98.39 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 123.092 0.245 . . . . 100.0 110.56 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.25 -41.09 94.65 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 112.99 0.737 . . . . 100.0 112.99 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.5 129.95 40.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 113.937 1.088 . . . . 100.0 113.937 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -66.22 -44.14 84.66 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.188 1.395 . . . . 100.0 110.117 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -115.66 129.82 56.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.271 -1.381 . . . . 100.0 107.271 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.76 12.58 57.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 118.759 -1.023 . . . . 100.0 114.18 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.23 -46.84 88.38 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.879 1.272 . . . . 100.0 112.476 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.7 -46.0 73.49 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 123.044 0.538 . . . . 100.0 111.846 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 60.4 3.98 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 113.105 0.779 . . . . 100.0 113.105 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -147.88 153.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 106.382 -1.71 . . . . 100.0 106.382 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.96 156.45 36.29 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.326 -1.361 . . . . 100.0 107.326 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.74 -44.06 93.93 Favored Pre-proline 0 C--N 1.353 0.732 0 N-CA-C 116.129 1.9 . . . . 100.0 116.129 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -61.48 -30.54 86.8 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.379 2.053 . . . . 100.0 116.268 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.89 123.41 49.03 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-N 119.414 1.006 . . . . 100.0 110.006 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.79 121.67 43.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 122.304 1.049 . . . . 100.0 109.137 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.92 -40.18 96.83 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.594 -1.639 . . . . 100.0 111.722 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.38 -45.05 96.0 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.227 1.011 . . . . 100.0 111.682 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.83 -42.06 91.02 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.213 1.56 . . . . 100.0 115.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.2 122.22 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 108.736 -0.839 . . . . 100.0 108.736 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.23 -42.93 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 C-N-CA 125.295 1.438 . . . . 100.0 109.575 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -73.84 146.2 44.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 123.727 0.811 . . . . 100.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 54.23 40.61 31.86 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.078 1.751 . . . . 100.0 113.704 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.1 m -80.44 131.82 35.64 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 105.166 -2.161 . . . . 100.0 105.166 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--O 1.257 1.482 0 N-CA-C 107.525 -1.287 . . . . 100.0 107.525 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -80.11 166.96 20.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.343 -0.984 . . . . 100.0 108.343 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.8 m -83.08 73.73 10.04 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.963 -1.866 . . . . 100.0 105.963 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.45 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.808 -1.923 . . . . 100.0 105.808 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.42 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.27 139.05 58.73 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.665 -0.698 . . . . 100.0 111.207 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.89 23.31 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.854 1.662 . . . . 100.0 113.443 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.5 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.63 1.972 . . . . 100.0 113.748 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 108.404 -0.962 . . . . 100.0 108.404 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.07 57.53 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.851 1.26 . . . . 100.0 111.687 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 8' ' ' THR . 72.5 mt-10 58.5 36.19 25.11 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.669 2.388 . . . . 100.0 113.22 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HG3' HG21 ' A' ' 13' ' ' ILE . 23.9 pt20 -121.61 26.19 8.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.289 -0.868 . . . . 100.0 110.514 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.27 52.84 12.79 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 115.818 1.784 . . . . 100.0 115.818 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.14 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.172 0.987 . . . . 100.0 112.123 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.4 m -166.33 177.61 6.71 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 127.262 2.225 . . . . 100.0 107.989 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.92 99.73 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.13 -174.27 3.5 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 124.953 1.301 . . . . 100.0 108.034 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.61 -43.22 97.7 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 120.306 3.447 . . . . 100.0 120.306 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.663 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.1 mmm -84.44 -178.68 6.98 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 118.026 2.602 . . . . 100.0 118.026 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -71.92 167.69 19.54 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.773 2.029 . . . . 100.0 112.157 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.526 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.27 86.29 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.552 1.141 . . . . 100.0 109.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.5 -39.19 90.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.628 1.571 . . . . 100.0 109.384 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.25 8.89 36.16 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.081 1.352 . . . . 100.0 112.411 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.61 -45.0 99.68 Favored Pre-proline 0 C--N 1.371 1.53 0 CA-C-O 116.17 -1.872 . . . . 100.0 114.141 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -60.56 -35.43 90.1 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 122.671 1.99 . . . . 100.0 112.171 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -39.39 90.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.208 1.403 . . . . 100.0 110.884 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.663 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -70.35 -9.95 57.66 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.542 1.537 . . . . 100.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.76 39.21 14.31 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.854 2.062 . . . . 100.0 107.965 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.37 -40.44 95.85 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.226 -1.352 . . . . 100.0 110.927 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.09 -44.68 96.14 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.653 0.781 . . . . 100.0 109.729 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.81 -38.63 86.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.509 1.524 . . . . 100.0 113.484 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.252 92.5 m-85 69.28 17.07 8.34 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.657 1.983 . . . . 100.0 111.782 -175.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttm-85 -114.56 120.18 39.32 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.884 -4.117 . . . . 100.0 99.884 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -81.6 123.99 29.15 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.756 -0.461 . . . . 100.0 109.756 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.69 0 C-N-CA 124.612 1.101 . . . . 100.0 112.418 179.687 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 CA--C 1.483 -1.619 0 N-CA-C 105.879 -1.897 . . . . 100.0 105.879 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.89 -40.88 83.43 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.809 -1.087 . . . . 100.0 110.685 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -62.16 -44.73 95.96 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 125.059 1.343 . . . . 100.0 112.05 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -86.72 148.0 25.62 Favored 'General case' 0 CA--C 1.493 -1.25 0 CA-C-O 121.519 0.676 . . . . 100.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -97.36 127.33 43.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 114.915 -1.038 . . . . 100.0 108.213 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.485 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 46.3 m0 53.72 39.96 30.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 126.911 2.085 . . . . 100.0 115.108 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.69 -46.34 82.64 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 117.452 -1.261 . . . . 100.0 110.642 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.42 -38.02 77.17 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.605 2.203 . . . . 100.0 111.545 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 53.0 mp0 -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 124.533 1.146 . . . . 100.0 111.914 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.88 -45.72 92.53 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 109.477 -0.564 . . . . 100.0 109.477 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.55 -40.16 88.91 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 114.332 1.234 . . . . 100.0 114.332 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 130.22 40.15 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 113.88 1.067 . . . . 100.0 113.88 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.9 p -64.95 -43.96 90.99 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.031 1.333 . . . . 100.0 112.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -115.53 129.65 56.61 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.499 -1.667 . . . . 100.0 106.499 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.84 9.75 56.93 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.092 -1.393 . . . . 100.0 114.814 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.92 -45.48 94.49 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.35 1.575 . . . . 100.0 113.474 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -65.01 -48.26 74.56 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.065 0.393 . . . . 100.0 111.116 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -92.82 61.9 3.63 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 112.935 0.717 . . . . 100.0 112.935 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.0 p -139.98 155.0 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.278 -1.749 . . . . 100.0 106.278 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -71.9 149.04 45.5 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 105.34 -2.096 . . . . 100.0 105.34 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.51 -43.82 93.83 Favored Pre-proline 0 C--N 1.354 0.787 0 N-CA-C 115.497 1.666 . . . . 100.0 115.497 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -32.12 92.83 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.386 2.058 . . . . 100.0 115.618 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -110.61 128.11 55.54 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 118.904 0.775 . . . . 100.0 112.17 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.0 123.0 49.32 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 107.841 -1.17 . . . . 100.0 107.841 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.7 -40.4 97.03 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 125.465 1.506 . . . . 100.0 112.048 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.84 -45.45 93.76 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.693 0.797 . . . . 100.0 111.291 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -66.38 -41.57 89.2 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 115.3 1.592 . . . . 100.0 115.3 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.77 123.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 CA-C-O 121.76 0.79 . . . . 100.0 108.958 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.97 -42.55 95.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 125.296 1.438 . . . . 100.0 109.294 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -72.38 143.68 48.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 124.02 0.928 . . . . 100.0 111.065 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 53.28 42.37 32.09 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 126.042 1.737 . . . . 100.0 113.766 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.4 m -81.25 127.49 32.76 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 104.264 -2.495 . . . . 100.0 104.264 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--O 1.258 1.519 0 CA-C-O 117.288 -1.339 . . . . 100.0 108.78 -179.421 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -79.98 167.02 21.01 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.403 -0.962 . . . . 100.0 108.403 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -83.14 73.69 10.06 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.966 -1.864 . . . . 100.0 105.966 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.95 44.46 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.818 -1.919 . . . . 100.0 105.818 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.422 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.708 -0.678 . . . . 100.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.99 33.87 23.27 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.835 1.654 . . . . 100.0 113.387 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.3 p 49.99 48.9 21.25 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.7 2.0 . . . . 100.0 113.711 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.35 132.36 44.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.405 -0.961 . . . . 100.0 108.405 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.07 57.53 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.832 1.253 . . . . 100.0 111.665 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.22 25.19 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 127.642 2.377 . . . . 100.0 113.232 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.65 26.27 8.83 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.276 -0.875 . . . . 100.0 110.495 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.1 52.89 12.84 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.874 1.805 . . . . 100.0 115.874 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.08 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 122.149 0.976 . . . . 100.0 112.181 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.1 m -166.28 177.62 6.73 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 127.254 2.222 . . . . 100.0 107.978 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.96 99.77 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 106.062 -1.829 . . . . 100.0 106.062 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.23 3.5 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 124.881 1.272 . . . . 100.0 107.992 177.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.62 -43.23 97.72 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 120.338 3.459 . . . . 100.0 120.338 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.667 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.44 -178.59 6.95 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 118.045 2.609 . . . . 100.0 118.045 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.407 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.0 p -71.98 167.68 19.61 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.778 2.031 . . . . 100.0 112.124 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.31 -39.26 86.37 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.58 1.152 . . . . 100.0 109.722 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.53 -39.15 90.0 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.579 1.551 . . . . 100.0 109.44 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.25 8.92 36.02 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.13 1.372 . . . . 100.0 112.426 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.99 99.66 Favored Pre-proline 0 C--N 1.371 1.51 0 CA-C-O 116.132 -1.89 . . . . 100.0 114.116 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.49 -35.53 90.06 Favored 'Trans proline' 0 C--N 1.379 2.142 0 CA-C-N 122.772 2.026 . . . . 100.0 112.212 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.85 -39.38 90.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.219 1.408 . . . . 100.0 110.873 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.563 1.545 . . . . 100.0 111.053 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m 61.85 39.14 14.09 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.832 2.053 . . . . 100.0 107.972 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.38 -40.39 95.73 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.235 -1.348 . . . . 100.0 110.927 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.18 -47.38 84.78 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 123.631 0.772 . . . . 100.0 109.7 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -65.98 -38.42 88.48 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.611 1.564 . . . . 100.0 114.162 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 71.61 11.5 6.46 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.998 2.119 . . . . 100.0 111.918 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -115.07 126.54 54.81 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 101.462 -3.533 . . . . 100.0 101.462 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -78.08 125.98 30.14 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 112.849 0.685 . . . . 100.0 112.849 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.632 0 C-N-CA 125.812 1.672 . . . . 100.0 111.648 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 N--CA 1.431 -1.393 0 N-CA-C 104.226 -2.509 . . . . 100.0 104.226 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -66.76 -37.88 85.48 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.7 -1.136 . . . . 100.0 113.516 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.76 -45.44 94.32 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.874 0.87 . . . . 100.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -93.41 148.79 21.75 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 120.309 -0.556 . . . . 100.0 110.186 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.54 132.05 43.58 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.643 -0.708 . . . . 100.0 110.477 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.5 m95 55.75 38.37 30.0 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.627 2.371 . . . . 100.0 111.816 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -62.35 -49.52 83.58 Favored Pre-proline 0 C--N 1.358 0.953 0 CA-C-O 117.107 -1.425 . . . . 100.0 112.47 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -63.06 -37.28 53.75 Favored 'Trans proline' 0 C--N 1.38 2.222 0 CA-C-N 121.563 1.594 . . . . 100.0 112.077 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.11 -42.16 99.49 Favored 'General case' 0 CA--C 1.489 -1.378 0 O-C-N 124.303 1.002 . . . . 100.0 112.265 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.96 -42.93 97.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.389 0.43 . . . . 100.0 110.689 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.08 -41.35 95.13 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 113.113 0.782 . . . . 100.0 113.113 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.82 128.32 35.16 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 113.867 1.062 . . . . 100.0 113.867 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -65.74 -44.77 84.95 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.772 1.229 . . . . 100.0 110.52 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -117.06 130.66 56.81 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.481 -1.674 . . . . 100.0 106.481 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.73 52.83 Favored Glycine 0 N--CA 1.434 -1.462 0 CA-C-O 117.638 -1.646 . . . . 100.0 116.29 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.48 -45.68 93.22 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.966 1.883 . . . . 100.0 113.65 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -64.13 -48.76 74.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 118.202 0.455 . . . . 100.0 111.178 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -93.04 63.79 3.78 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 113.452 0.908 . . . . 100.0 113.452 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.34 153.62 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 106.223 -1.769 . . . . 100.0 106.223 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -72.54 149.88 43.67 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 105.012 -2.218 . . . . 100.0 105.012 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.21 -43.2 93.09 Favored Pre-proline 0 C--N 1.353 0.751 0 N-CA-C 117.707 2.484 . . . . 100.0 117.707 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.99 -26.56 78.73 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.208 1.939 . . . . 100.0 115.475 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -112.67 124.21 52.04 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 119.261 0.937 . . . . 100.0 110.361 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.67 119.29 36.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.113 -1.44 . . . . 100.0 107.113 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.68 -42.61 99.15 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 125.447 1.499 . . . . 100.0 113.219 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.96 -43.46 98.74 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.753 0.421 . . . . 100.0 112.124 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.86 -41.92 91.07 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 114.842 1.423 . . . . 100.0 114.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.78 125.05 65.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-O 121.711 0.767 . . . . 100.0 109.978 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.76 -41.87 93.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.845 1.658 . . . . 100.0 109.507 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.92 141.12 53.15 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.956 0.902 . . . . 100.0 111.203 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.21 42.6 32.13 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 126.199 1.8 . . . . 100.0 114.218 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -77.76 129.88 36.04 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 105.255 -2.128 . . . . 100.0 105.255 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 117.331 -1.319 . . . . 100.0 108.234 -179.271 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 108.963 -1.655 . . . . 100.0 108.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 167.0 20.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.5 m -83.12 73.69 10.05 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.969 -1.863 . . . . 100.0 105.969 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.96 44.44 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.782 -1.932 . . . . 100.0 105.782 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.41 139.1 58.74 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.636 -0.711 . . . . 100.0 111.196 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.88 33.95 23.36 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.839 1.656 . . . . 100.0 113.442 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.5 p 49.94 48.93 21.16 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.703 2.001 . . . . 100.0 113.722 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.4 m -71.4 132.35 44.69 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.369 -0.975 . . . . 100.0 108.369 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.08 57.53 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.83 1.252 . . . . 100.0 111.661 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 8' ' ' THR . 72.4 mt-10 58.41 36.25 25.29 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.716 2.406 . . . . 100.0 113.216 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.458 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.26 8.86 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.305 -0.861 . . . . 100.0 110.511 178.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.19 52.85 12.85 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.87 1.804 . . . . 100.0 115.87 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.77 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -104.98 120.12 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 CA-C-O 122.115 0.959 . . . . 100.0 112.159 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.32 177.62 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.32 2.248 . . . . 100.0 107.989 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 106.079 -1.823 . . . . 100.0 106.079 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.06 -174.2 3.5 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.916 1.286 . . . . 100.0 108.062 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.25 97.84 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 120.318 3.451 . . . . 100.0 120.318 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.653 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.39 -178.6 6.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 118.056 2.613 . . . . 100.0 118.056 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.5 p -71.95 167.68 19.58 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.801 2.041 . . . . 100.0 112.154 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.29 -39.22 86.15 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 124.517 1.127 . . . . 100.0 109.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.16 90.17 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.62 1.568 . . . . 100.0 109.379 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.3 8.96 35.97 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.115 1.366 . . . . 100.0 112.417 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.4 m -58.69 -44.97 99.64 Favored Pre-proline 0 C--N 1.372 1.544 0 CA-C-O 116.119 -1.896 . . . . 100.0 114.157 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.5 -35.52 90.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 CA-C-N 122.728 2.01 . . . . 100.0 112.188 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.148 1.379 . . . . 100.0 110.924 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.42 -9.93 57.73 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.586 1.554 . . . . 100.0 110.999 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.19 14.21 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.865 2.066 . . . . 100.0 107.957 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.39 95.66 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 114.257 -1.338 . . . . 100.0 110.888 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.15 -45.46 93.32 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 123.654 0.782 . . . . 100.0 109.697 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -67.87 -35.44 78.54 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 124.175 0.99 . . . . 100.0 113.383 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.278 64.8 m-85 66.85 25.19 9.6 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.473 1.509 . . . . 100.0 112.203 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -122.17 124.46 43.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 101.134 -3.654 . . . . 100.0 101.134 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.669 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 44.3 t-20 -79.85 116.76 20.19 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 107.107 -1.442 . . . . 100.0 107.107 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.629 0 C-N-CA 125.401 1.476 . . . . 100.0 114.075 -178.469 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.669 ' HZ1' ' HB3' ' A' ' 33' ' ' ASN . 96.6 mttt . . . . . 0 CA--C 1.491 -1.315 0 N-CA-C 103.021 -2.955 . . . . 100.0 103.021 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -66.1 -38.77 89.06 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 124.05 0.94 . . . . 100.0 112.075 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -62.21 -44.16 97.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.536 1.134 . . . . 100.0 111.144 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -80.31 149.41 30.32 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 109.096 -0.705 . . . . 100.0 109.096 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.08 126.61 51.33 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.265 -1.383 . . . . 100.0 107.265 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.4 m0 54.81 39.42 31.41 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 126.642 1.977 . . . . 100.0 114.053 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.49 -48.1 82.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-O 117.367 -1.301 . . . . 100.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.75 -36.01 65.23 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.1 1.867 . . . . 100.0 111.997 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.7 mp0 -63.77 -40.88 97.76 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 124.189 0.931 . . . . 100.0 111.588 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.27 -43.35 98.2 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 110.149 -0.315 . . . . 100.0 110.149 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.86 -41.87 95.33 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 113.311 0.856 . . . . 100.0 113.311 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.97 129.86 40.11 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.556 1.317 . . . . 100.0 114.556 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.1 m -65.21 -45.06 86.29 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 114.252 -1.34 . . . . 100.0 110.146 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -115.9 130.05 56.66 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 107.599 -1.26 . . . . 100.0 107.599 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.19 12.85 58.77 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-O 118.415 -1.214 . . . . 100.0 114.21 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.84 -46.46 89.18 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.72 1.26 . . . . 100.0 112.791 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -66.22 -47.71 72.96 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 123.029 0.532 . . . . 100.0 111.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -92.03 62.36 4.21 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 113.209 0.818 . . . . 100.0 113.209 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -147.14 155.69 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 107.03 -1.47 . . . . 100.0 107.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -72.85 149.71 43.3 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.237 -1.764 . . . . 100.0 106.237 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.39 -44.01 94.68 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 116.274 1.953 . . . . 100.0 116.274 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.86 -26.61 74.62 Favored 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.572 2.181 . . . . 100.0 115.076 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -109.58 123.42 49.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 119.02 0.827 . . . . 100.0 110.153 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.6 mt -114.63 119.98 38.6 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 122.149 0.976 . . . . 100.0 108.376 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.95 -41.19 99.44 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 113.805 -1.543 . . . . 100.0 112.301 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 35.9 mmt -63.75 -41.83 97.95 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.397 0.518 . . . . 100.0 112.397 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -64.27 -43.46 94.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.893 1.071 . . . . 100.0 113.893 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.54 124.24 69.02 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 109.089 -0.708 . . . . 100.0 109.089 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.46 -41.3 91.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 125.306 1.442 . . . . 100.0 109.205 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -67.26 139.98 57.34 Favored 'General case' 0 CA--C 1.503 -0.85 0 C-N-CA 124.68 1.192 . . . . 100.0 110.665 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 53.57 42.23 31.95 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.473 1.909 . . . . 100.0 114.202 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -81.38 129.83 34.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 105.388 -2.079 . . . . 100.0 105.388 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.548 0 CA-C-O 117.177 -1.392 . . . . 100.0 107.354 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 108.959 -1.656 . . . . 100.0 108.959 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.09 167.05 20.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.409 -0.96 . . . . 100.0 108.409 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 m -83.14 73.67 10.06 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 105.915 -1.883 . . . . 100.0 105.915 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.98 44.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.779 -1.934 . . . . 100.0 105.779 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' MET . . . . . 0.432 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.36 139.07 58.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.637 -0.71 . . . . 100.0 111.213 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.95 33.87 23.28 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.798 1.639 . . . . 100.0 113.413 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 65.4 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.669 1.988 . . . . 100.0 113.717 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.718 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.1 m -71.36 132.29 44.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.401 -0.962 . . . . 100.0 108.401 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.63 -0.09 57.54 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.825 1.25 . . . . 100.0 111.753 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.718 ' H ' HG23 ' A' ' 8' ' ' THR . 72.7 mt-10 58.44 36.26 25.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 127.641 2.376 . . . . 100.0 113.223 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.469 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.24 8.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.248 -0.887 . . . . 100.0 110.508 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.92 12.75 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.853 1.797 . . . . 100.0 115.853 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-O 122.131 0.967 . . . . 100.0 112.133 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.5 m -166.32 177.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 127.258 2.223 . . . . 100.0 107.995 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.93 99.73 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 106.092 -1.818 . . . . 100.0 106.092 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.08 -174.19 3.49 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 124.91 1.284 . . . . 100.0 108.018 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.74 -43.18 98.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 120.343 3.46 . . . . 100.0 120.343 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.661 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 118.065 2.617 . . . . 100.0 118.065 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.401 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.7 p -71.91 167.7 19.52 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 126.847 2.059 . . . . 100.0 112.172 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.38 -39.2 86.42 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.491 1.117 . . . . 100.0 109.739 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.17 90.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.583 1.553 . . . . 100.0 109.388 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.83 36.2 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 125.133 1.373 . . . . 100.0 112.464 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m -58.63 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.514 0 CA-C-O 116.13 -1.891 . . . . 100.0 114.167 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.45 -35.53 90.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.732 2.011 . . . . 100.0 112.251 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.81 -39.34 90.8 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.194 1.398 . . . . 100.0 110.927 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.44 -9.95 57.81 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.533 1.533 . . . . 100.0 111.006 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.26 14.14 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.865 2.066 . . . . 100.0 107.949 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -40.4 95.57 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-N 114.212 -1.358 . . . . 100.0 110.878 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.04 -44.64 96.26 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.609 0.763 . . . . 100.0 109.759 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.97 -39.13 90.11 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.774 1.229 . . . . 100.0 112.181 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 71.28 11.8 6.75 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.171 2.188 . . . . 100.0 111.923 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -125.63 126.83 45.35 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 100.546 -3.872 . . . . 100.0 100.546 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -78.76 127.89 32.68 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 115.072 1.508 . . . . 100.0 115.072 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.616 0 C-N-CA 125.824 1.678 . . . . 100.0 111.841 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.48 -1.737 0 N-CA-C 105.734 -1.951 . . . . 100.0 105.734 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -42.89 86.23 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.297 -1.319 . . . . 100.0 110.248 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.23 -44.44 95.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 C-N-CA 124.61 1.164 . . . . 100.0 112.855 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.71 146.42 27.43 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 121.488 0.661 . . . . 100.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.5 128.33 43.33 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.989 -1.005 . . . . 100.0 111.065 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.9 m0 52.48 39.3 27.51 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.581 2.352 . . . . 100.0 114.519 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -64.1 -48.85 76.49 Favored Pre-proline 0 N--CA 1.437 -1.082 0 CA-C-O 117.209 -1.376 . . . . 100.0 111.687 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.43 -34.87 75.08 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 121.86 1.706 . . . . 100.0 111.373 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.1 mp0 -63.38 -40.07 96.25 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 124.164 0.915 . . . . 100.0 111.702 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.47 -43.32 97.65 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 110.095 -0.335 . . . . 100.0 110.095 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.19 -39.68 89.87 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 113.679 0.992 . . . . 100.0 113.679 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.91 129.19 38.41 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.504 0.927 . . . . 100.0 113.504 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -67.89 -42.52 81.09 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.302 1.041 . . . . 100.0 109.401 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.07 128.76 55.47 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.325 -1.361 . . . . 100.0 107.325 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.48 15.28 56.16 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.031 -1.427 . . . . 100.0 115.638 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.307 1.554 . . . . 100.0 112.951 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.97 -47.16 75.52 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 112.261 0.467 . . . . 100.0 112.261 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -91.48 60.85 4.2 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 113.095 0.776 . . . . 100.0 113.095 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -145.76 155.26 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 N-CA-C 107.027 -1.471 . . . . 100.0 107.027 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -73.75 153.91 39.81 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 107.734 -1.21 . . . . 100.0 107.734 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.27 -44.56 96.44 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 115.536 1.68 . . . . 100.0 115.536 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.45 -26.28 76.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.015 1.81 . . . . 100.0 115.797 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -111.07 123.99 51.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 118.865 0.757 . . . . 100.0 110.368 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -114.76 119.92 38.3 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.616 -1.253 . . . . 100.0 107.616 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.33 -41.03 98.23 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 125.585 1.554 . . . . 100.0 111.873 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.42 -45.06 95.89 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.493 1.117 . . . . 100.0 111.928 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.74 -42.38 86.31 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 115.609 1.707 . . . . 100.0 115.609 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -107.66 125.0 64.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 119.938 -0.705 . . . . 100.0 109.652 -176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.01 -43.73 97.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 125.732 1.613 . . . . 100.0 109.987 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.71 146.92 39.77 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 123.136 0.574 . . . . 100.0 111.315 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 55.17 39.99 31.61 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.063 1.745 . . . . 100.0 113.48 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.4 m -79.26 132.54 36.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.614 -1.995 . . . . 100.0 105.614 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--O 1.257 1.488 0 N-CA-C 107.585 -1.265 . . . . 100.0 107.585 179.791 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.015 -1.634 . . . . 100.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.03 166.99 21.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.366 -0.976 . . . . 100.0 108.366 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.11 73.7 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.944 -1.872 . . . . 100.0 105.944 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.58 157.94 44.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.809 -1.922 . . . . 100.0 105.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.05 58.73 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.195 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.83 23.26 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.781 1.632 . . . . 100.0 113.459 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.8 p 50.02 48.92 21.25 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.694 1.998 . . . . 100.0 113.692 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.701 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.43 132.32 44.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.369 -0.974 . . . . 100.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.67 -0.11 57.54 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 100.0 111.735 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.701 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.25 25.12 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.713 2.405 . . . . 100.0 113.168 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.465 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.18 8.89 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.3 -0.864 . . . . 100.0 110.504 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.25 52.83 12.83 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 115.855 1.798 . . . . 100.0 115.855 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.779 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.1 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.157 0.98 . . . . 100.0 112.127 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 100.0 m -166.32 177.62 6.7 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 127.235 2.214 . . . . 100.0 107.951 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.94 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.108 -1.812 . . . . 100.0 106.108 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.12 -174.23 3.5 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 124.889 1.275 . . . . 100.0 108.021 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.66 -43.24 97.85 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.316 3.451 . . . . 100.0 120.316 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.66 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.35 -178.65 6.98 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 118.078 2.621 . . . . 100.0 118.078 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.6 p -71.96 167.68 19.59 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.785 2.034 . . . . 100.0 112.107 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.518 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.9 m-85 -60.31 -39.22 86.2 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.553 1.141 . . . . 100.0 109.764 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.57 -39.17 90.19 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.588 1.555 . . . . 100.0 109.38 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.24 8.95 35.88 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.102 1.361 . . . . 100.0 112.452 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.2 m -58.72 -44.93 99.58 Favored Pre-proline 0 C--N 1.371 1.54 0 CA-C-O 116.089 -1.91 . . . . 100.0 114.138 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.54 -35.46 90.11 Favored 'Trans proline' 0 C--N 1.378 2.115 0 CA-C-N 122.742 2.015 . . . . 100.0 112.221 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.83 -39.34 90.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.168 1.387 . . . . 100.0 110.968 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.36 -9.93 57.62 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.557 1.543 . . . . 100.0 111.046 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.75 39.24 14.32 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.89 2.076 . . . . 100.0 107.968 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.38 95.65 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.214 -1.357 . . . . 100.0 110.959 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.1 -46.13 90.4 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.563 0.745 . . . . 100.0 109.791 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.68 -38.45 86.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.194 1.183 . . . . 100.0 114.194 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.272 78.2 m-85 68.08 18.95 9.37 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.351 1.86 . . . . 100.0 111.688 -174.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -118.98 125.51 49.57 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.412 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 26.9 t-20 -78.51 126.58 30.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.227 0.537 . . . . 100.0 110.995 -176.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.68 -41.96 99.76 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 125.454 1.502 . . . . 100.0 114.089 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.402 19.5 p90 -75.68 160.73 29.76 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 112.783 0.66 . . . . 100.0 112.783 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 70.24 82.4 0.16 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 105.218 -2.141 . . . . 100.0 105.218 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.87 -44.94 96.37 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.408 1.483 . . . . 100.0 111.172 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.32 94.5 9.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.329 -1.36 . . . . 100.0 107.329 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' HZ1' ' HB3' ' A' ' 33' ' ' ASN . 97.2 mttt -106.43 112.53 25.58 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 105.254 -2.128 . . . . 100.0 105.254 178.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -70.03 -40.8 74.98 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 113.862 -1.517 . . . . 100.0 109.363 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -63.13 -45.4 92.16 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 125.053 1.341 . . . . 100.0 111.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -83.68 149.13 26.7 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.665 0.745 . . . . 100.0 111.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -93.29 125.36 37.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.554 -1.203 . . . . 100.0 112.746 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 m95 52.17 40.38 28.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.42 2.288 . . . . 100.0 112.606 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.63 -47.37 88.26 Favored Pre-proline 0 N--CA 1.439 -0.983 0 CA-C-O 117.094 -1.431 . . . . 100.0 113.644 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.8 -38.86 67.28 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.191 1.927 . . . . 100.0 111.276 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -64.07 -40.52 96.44 Favored 'General case' 0 N--CA 1.432 -1.355 0 O-C-N 124.625 1.203 . . . . 100.0 111.833 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.81 -44.23 96.7 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 122.89 0.476 . . . . 100.0 110.156 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -40.32 90.03 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 113.289 0.848 . . . . 100.0 113.289 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.74 128.62 36.98 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 113.001 0.741 . . . . 100.0 113.001 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -66.87 -45.41 78.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.158 1.383 . . . . 100.0 109.32 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -118.74 131.53 56.13 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 106.652 -1.61 . . . . 100.0 106.652 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.46 12.44 58.31 Favored Glycine 0 N--CA 1.435 -1.369 0 CA-C-O 118.235 -1.314 . . . . 100.0 113.705 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.41 -46.35 90.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.871 1.335 . . . . 100.0 113.429 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.76 -46.21 72.72 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 118.023 0.374 . . . . 100.0 111.441 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.85 60.06 3.81 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.786 1.032 . . . . 100.0 113.786 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.59 153.62 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 105.84 -1.911 . . . . 100.0 105.84 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.85 156.3 36.6 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.919 -1.141 . . . . 100.0 107.919 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -60.04 -44.36 96.44 Favored Pre-proline 0 C--N 1.353 0.735 0 N-CA-C 117.232 2.308 . . . . 100.0 117.232 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.61 -24.98 75.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.302 2.002 . . . . 100.0 115.87 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -110.16 121.96 46.5 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 119.276 0.943 . . . . 100.0 109.295 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.69 120.32 38.96 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 122.047 0.927 . . . . 100.0 108.556 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.35 -41.62 98.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.602 1.561 . . . . 100.0 111.594 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.5 mtp -61.38 -45.69 93.32 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.485 0.714 . . . . 100.0 112.488 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -66.34 -40.24 89.73 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 115.56 1.689 . . . . 100.0 115.56 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.48 121.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 108.246 -1.02 . . . . 100.0 108.246 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.84 -42.8 95.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 C-N-CA 125.237 1.415 . . . . 100.0 110.213 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -78.14 148.95 33.91 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-O 121.1 0.476 . . . . 100.0 111.258 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 54.1 42.04 31.75 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.877 1.671 . . . . 100.0 113.392 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -80.25 132.2 35.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 104.421 -2.437 . . . . 100.0 104.421 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--O 1.258 1.509 0 CA-C-O 117.523 -1.227 . . . . 100.0 107.762 179.774 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 108.961 -1.655 . . . . 100.0 108.961 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.12 167.04 20.88 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.36 -0.978 . . . . 100.0 108.36 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 105.97 -1.863 . . . . 100.0 105.97 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.53 157.98 44.43 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 105.829 -1.915 . . . . 100.0 105.829 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.426 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.35 139.08 58.73 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.648 -0.705 . . . . 100.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.849 1.66 . . . . 100.0 113.441 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.6 p 50.02 48.85 21.36 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.656 1.983 . . . . 100.0 113.742 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.37 132.33 44.69 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.356 -0.979 . . . . 100.0 108.356 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.75 -0.02 57.52 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.795 1.238 . . . . 100.0 111.709 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.29 25.24 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.666 2.386 . . . . 100.0 113.204 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.483 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.72 26.26 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.476 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.12 52.95 12.7 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 115.823 1.786 . . . . 100.0 115.823 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.15 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-O 122.152 0.977 . . . . 100.0 112.076 -179.455 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.0 m -166.39 177.63 6.65 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 127.303 2.241 . . . . 100.0 108.02 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.91 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.064 -1.828 . . . . 100.0 106.064 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.14 -174.16 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.864 1.266 . . . . 100.0 107.992 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.68 -43.26 97.91 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 120.317 3.451 . . . . 100.0 120.317 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.668 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.32 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 118.091 2.626 . . . . 100.0 118.091 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.8 p -71.94 167.68 19.58 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.779 2.032 . . . . 100.0 112.171 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.525 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.35 -39.15 86.12 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.509 1.124 . . . . 100.0 109.757 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.426 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.59 -39.22 90.43 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.611 1.565 . . . . 100.0 109.376 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.19 8.92 35.88 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.078 1.351 . . . . 100.0 112.493 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m -58.63 -44.94 99.62 Favored Pre-proline 0 C--N 1.371 1.542 0 CA-C-O 116.141 -1.885 . . . . 100.0 114.181 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.55 -35.48 89.95 Favored 'Trans proline' 0 C--N 1.378 2.096 0 CA-C-N 122.744 2.016 . . . . 100.0 112.174 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -39.38 90.63 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.183 1.393 . . . . 100.0 110.908 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.34 -9.96 57.64 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.531 1.532 . . . . 100.0 111.063 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.22 14.23 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.861 2.065 . . . . 100.0 107.952 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.42 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.437 0 CA-C-N 114.207 -1.361 . . . . 100.0 110.951 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.19 -45.37 93.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.647 0.779 . . . . 100.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.0 -38.77 92.05 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 128.312 2.645 . . . . 100.0 113.429 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.253 88.2 m-85 72.12 11.49 6.0 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.971 2.108 . . . . 100.0 114.516 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -118.29 127.34 53.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 101.649 -3.463 . . . . 100.0 101.649 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.544 HD22 ' HB2' ' A' ' 35' ' ' PHE . 49.8 t30 -82.89 122.08 27.78 Favored 'General case' 0 CA--C 1.492 -1.255 0 CA-C-O 121.123 0.487 . . . . 100.0 111.286 -177.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.77 98.27 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 126.264 1.888 . . . . 100.0 112.821 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.544 ' HB2' HD22 ' A' ' 33' ' ' ASN . 97.7 m-85 -70.98 160.75 32.32 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.187 1.395 . . . . 100.0 109.635 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 66.64 77.23 0.28 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 106.041 -1.837 . . . . 100.0 106.041 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -61.45 -46.26 90.83 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.25 1.02 . . . . 100.0 111.106 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.92 99.9 12.16 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 106.614 -1.624 . . . . 100.0 106.614 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -108.95 117.67 34.81 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 105.962 -1.866 . . . . 100.0 105.962 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.99 -39.95 83.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.599 -1.182 . . . . 100.0 108.935 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.34 -45.6 93.76 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.218 1.407 . . . . 100.0 112.06 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.31 148.45 25.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 121.612 0.72 . . . . 100.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.01 125.09 39.44 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.953 -1.021 . . . . 100.0 108.63 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.402 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.252 40.4 m0 52.79 39.11 28.19 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.97 1.841 . . . . 100.0 115.97 179.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -63.69 -48.27 80.4 Favored Pre-proline 0 N--CA 1.441 -0.922 0 CA-C-O 117.29 -1.338 . . . . 100.0 111.077 179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.77 -37.87 64.33 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.117 1.878 . . . . 100.0 112.127 177.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.9 mp0 -63.22 -41.15 99.08 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.198 0.936 . . . . 100.0 111.724 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.0 -43.75 97.93 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.265 0.353 . . . . 100.0 110.484 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -42.34 96.82 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.762 0.825 . . . . 100.0 112.517 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.51 128.23 35.43 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.827 1.047 . . . . 100.0 113.827 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.8 m -66.76 -44.12 82.29 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.059 1.344 . . . . 100.0 108.42 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -117.02 130.14 56.48 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 107.67 -1.233 . . . . 100.0 107.67 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.29 11.62 60.08 Favored Glycine 0 N--CA 1.436 -1.342 0 CA-C-O 118.16 -1.356 . . . . 100.0 114.869 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -60.52 -44.04 96.46 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 115.487 1.662 . . . . 100.0 115.487 -178.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -66.41 -46.41 76.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 118.419 0.554 . . . . 100.0 110.777 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -92.07 61.4 3.99 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.562 0.949 . . . . 100.0 113.562 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.4 p -145.88 156.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 107.366 -1.346 . . . . 100.0 107.366 177.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -73.04 153.49 40.85 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.116 -1.438 . . . . 100.0 107.116 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -61.01 -43.71 92.04 Favored Pre-proline 0 C--N 1.354 0.773 0 N-CA-C 115.712 1.745 . . . . 100.0 115.712 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.95 -31.14 91.15 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.294 1.996 . . . . 100.0 115.544 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -109.72 126.19 53.45 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-N 119.001 0.818 . . . . 100.0 111.476 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.4 mt -113.55 120.85 42.4 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 107.328 -1.36 . . . . 100.0 107.328 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.44 -42.34 99.39 Favored 'General case' 0 CA--C 1.495 -1.169 0 C-N-CA 125.23 1.412 . . . . 100.0 112.934 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.4 mtm -63.44 -42.22 98.67 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 112.345 0.498 . . . . 100.0 112.345 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.26 -42.57 96.4 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 114.428 1.27 . . . . 100.0 114.428 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.06 123.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 108.903 -0.777 . . . . 100.0 108.903 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -42.21 94.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.955 1.302 . . . . 100.0 109.792 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.9 144.12 49.1 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.017 0.927 . . . . 100.0 111.031 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.09 41.24 32.1 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.011 1.724 . . . . 100.0 113.966 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.2 m -81.73 131.03 35.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--O 1.257 1.489 0 N-CA-C 107.389 -1.338 . . . . 100.0 107.389 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 108.988 -1.645 . . . . 100.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.02 166.99 21.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.393 -0.966 . . . . 100.0 108.393 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.13 73.74 10.05 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.99 44.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.77 -1.937 . . . . 100.0 105.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.37 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.92 33.9 23.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.808 1.643 . . . . 100.0 113.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 63.0 p 49.97 48.86 21.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.677 1.991 . . . . 100.0 113.76 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.716 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.35 132.34 44.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.362 -0.977 . . . . 100.0 108.362 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.71 -0.13 57.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.844 1.258 . . . . 100.0 111.687 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.716 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.22 25.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.666 2.386 . . . . 100.0 113.218 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.475 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.51 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.13 52.97 12.67 Favored 'General case' 0 C--N 1.361 1.101 0 N-CA-C 115.83 1.789 . . . . 100.0 115.83 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.755 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-O 122.113 0.958 . . . . 100.0 112.133 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.8 m -166.3 177.63 6.71 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 127.208 2.203 . . . . 100.0 107.967 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.91 99.71 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.107 -1.812 . . . . 100.0 106.107 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.429 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.21 -174.2 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.875 1.27 . . . . 100.0 107.959 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.27 97.78 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 120.276 3.436 . . . . 100.0 120.276 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.659 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 118.005 2.594 . . . . 100.0 118.005 -176.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -72.0 167.67 19.66 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.739 2.016 . . . . 100.0 112.169 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.519 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.31 -39.21 86.2 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 124.508 1.123 . . . . 100.0 109.77 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.12 90.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.574 1.549 . . . . 100.0 109.401 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.29 8.94 36.01 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 125.104 1.361 . . . . 100.0 112.463 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.62 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.15 -1.881 . . . . 100.0 114.155 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -60.56 -35.44 90.09 Favored 'Trans proline' 0 C--N 1.378 2.124 0 CA-C-N 122.704 2.001 . . . . 100.0 112.208 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.89 -39.34 90.55 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.183 1.393 . . . . 100.0 110.911 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.659 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.38 -9.93 57.64 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.555 1.542 . . . . 100.0 111.028 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.5 m 61.78 39.26 14.2 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.899 2.079 . . . . 100.0 107.921 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.429 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.45 -40.42 95.68 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 114.259 -1.337 . . . . 100.0 110.914 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -48.0 82.17 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 123.609 0.764 . . . . 100.0 109.755 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -64.2 -38.88 92.64 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 126.044 1.737 . . . . 100.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 70.9 10.99 7.07 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.496 1.919 . . . . 100.0 112.716 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.471 HH21 ' HD1' ' A' ' 45' ' ' TYR . 72.7 mtp85 -114.99 122.97 47.88 Favored 'General case' 0 CA--C 1.495 -1.139 1 N-CA-C 98.23 -4.73 . . . . 100.0 98.23 177.473 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -81.81 128.15 33.71 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 116.085 -0.507 . . . . 100.0 109.697 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.79 99.65 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.088 1.328 . . . . 100.0 113.007 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.365 22.8 p90 -77.28 163.55 26.38 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 112.872 0.693 . . . . 100.0 112.872 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 63.46 71.8 0.49 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 125.333 1.453 . . . . 100.0 107.825 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.06 -45.66 92.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.537 -1.665 . . . . 100.0 112.531 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.8 tp -93.49 97.52 10.59 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 104.484 -2.413 . . . . 100.0 104.484 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE2' ' HB2' ' A' ' 41' ' ' ASP . 88.2 tttt -115.14 117.43 30.51 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.604 -1.999 . . . . 100.0 105.604 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -65.85 -37.66 86.76 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-N 114.397 -1.274 . . . . 100.0 113.704 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.463 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 82.1 m-20 -61.02 -44.78 96.91 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.321 1.048 . . . . 100.0 110.588 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -85.95 147.1 26.39 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.358 0.599 . . . . 100.0 110.162 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.84 127.38 42.76 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.398 -0.819 . . . . 100.0 111.038 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 53.85 37.48 26.55 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.626 2.37 . . . . 100.0 112.301 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.471 ' HD1' HH21 ' A' ' 32' ' ' ARG . 41.4 t80 -63.65 -47.87 81.43 Favored Pre-proline 0 C--N 1.359 1.007 0 CA-C-O 117.215 -1.374 . . . . 100.0 113.724 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.17 -36.67 68.0 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.913 1.742 . . . . 100.0 111.776 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -64.52 -39.8 94.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.049 0.94 . . . . 100.0 111.738 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.76 -45.2 93.78 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 122.857 0.463 . . . . 100.0 109.783 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.44 -42.02 96.24 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 113.075 0.769 . . . . 100.0 113.075 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -73.48 126.84 31.14 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 122.119 0.961 . . . . 100.0 113.362 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -66.68 -43.35 84.67 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.252 1.421 . . . . 100.0 109.885 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -113.9 128.68 56.5 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 106.813 -1.551 . . . . 100.0 106.813 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.01 10.4 56.99 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 118.521 -1.155 . . . . 100.0 113.995 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 86.8 tt0 -60.55 -46.35 90.53 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.658 1.229 . . . . 100.0 112.97 -177.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.27 -47.85 72.34 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 122.827 0.451 . . . . 100.0 111.395 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -92.82 64.36 4.02 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 113.669 0.988 . . . . 100.0 113.669 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.9 p -148.29 155.77 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 106.981 -1.489 . . . . 100.0 106.981 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -72.03 152.76 42.19 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.437 1.495 . . . . 100.0 107.166 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.24 -44.57 93.84 Favored Pre-proline 0 C--N 1.353 0.724 0 CA-C-O 116.927 -1.511 . . . . 100.0 115.046 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.49 -23.5 64.53 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.458 2.105 . . . . 100.0 115.747 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -108.26 120.22 41.74 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 119.303 0.956 . . . . 100.0 108.592 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.85 119.43 35.38 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.938 0.875 . . . . 100.0 108.735 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.95 -41.75 99.6 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 125.432 1.493 . . . . 100.0 111.827 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.09 -44.67 96.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.108 0.963 . . . . 100.0 111.768 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.92 -42.65 94.51 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 115.248 1.573 . . . . 100.0 115.248 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.61 123.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.01 -43.99 97.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 C-N-CA 125.238 1.415 . . . . 100.0 109.824 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.03 146.88 41.19 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 121.213 0.53 . . . . 100.0 112.121 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 54.01 42.35 31.68 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.144 1.778 . . . . 100.0 113.71 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 45.1 m -81.95 130.89 35.21 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 105.436 -2.061 . . . . 100.0 105.436 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--O 1.258 1.501 0 CA-C-O 117.246 -1.359 . . . . 100.0 108.95 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 108.977 -1.649 . . . . 100.0 108.977 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 166.97 21.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.37 -0.974 . . . . 100.0 108.37 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.984 -1.858 . . . . 100.0 105.984 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.59 157.97 44.43 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 105.806 -1.924 . . . . 100.0 105.806 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.428 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.31 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.625 -0.716 . . . . 100.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.841 1.656 . . . . 100.0 113.424 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.2 p 49.99 48.88 21.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.644 1.977 . . . . 100.0 113.716 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.71 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.6 m -71.4 132.36 44.7 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.347 -0.983 . . . . 100.0 108.347 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.69 -0.15 57.54 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.871 1.268 . . . . 100.0 111.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.71 ' H ' HG23 ' A' ' 8' ' ' THR . 72.7 mt-10 58.51 36.26 25.14 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.708 2.403 . . . . 100.0 113.17 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.474 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.68 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.33 -0.85 . . . . 100.0 110.496 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.96 12.67 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 115.807 1.78 . . . . 100.0 115.807 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.15 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 CA-C-O 122.092 0.949 . . . . 100.0 112.117 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.3 m -166.36 177.62 6.68 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 127.28 2.232 . . . . 100.0 107.965 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.065 -1.828 . . . . 100.0 106.065 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.16 -174.17 3.47 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 124.84 1.256 . . . . 100.0 108.017 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -60.71 -43.22 98.1 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.284 3.439 . . . . 100.0 120.284 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.658 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 118.073 2.62 . . . . 100.0 118.073 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.404 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.1 p -71.95 167.66 19.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.804 2.042 . . . . 100.0 112.158 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.526 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.34 -39.19 86.21 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.519 1.128 . . . . 100.0 109.755 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.428 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.19 90.26 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.627 1.571 . . . . 100.0 109.378 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.27 9.0 35.75 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.08 1.352 . . . . 100.0 112.446 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.622 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.69 -44.99 99.65 Favored Pre-proline 0 C--N 1.371 1.539 0 CA-C-O 116.109 -1.901 . . . . 100.0 114.12 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.48 -35.52 90.13 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-N 122.771 2.025 . . . . 100.0 112.202 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.255 1.422 . . . . 100.0 110.886 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.658 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.587 1.555 . . . . 100.0 111.037 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.19 14.27 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.837 2.055 . . . . 100.0 107.947 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.41 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 114.269 -1.332 . . . . 100.0 110.955 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.17 -47.3 85.14 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.609 0.764 . . . . 100.0 109.708 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.32 -38.08 84.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.81 1.244 . . . . 100.0 114.235 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.28 77.9 m-85 68.54 16.98 9.09 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.024 1.73 . . . . 100.0 112.441 -175.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -116.67 123.0 46.19 Favored 'General case' 0 N--CA 1.434 -1.274 1 N-CA-C 100.113 -4.032 . . . . 100.0 100.113 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.57 126.71 34.09 Favored 'General case' 0 CA--C 1.483 -1.603 0 C-N-CA 119.094 -1.042 . . . . 100.0 112.634 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -40.45 99.03 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.382 -1.736 . . . . 100.0 111.55 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -73.26 163.6 27.87 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.126 0.97 . . . . 100.0 112.192 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.8 t80 60.97 69.85 0.65 Allowed 'General case' 0 C--N 1.361 1.079 0 N-CA-C 105.784 -1.932 . . . . 100.0 105.784 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -43.51 93.27 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 113.478 -1.692 . . . . 100.0 112.025 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.57 79.88 9.29 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.154 0.502 . . . . 100.0 109.773 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -94.55 110.31 22.13 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 104.582 -2.377 . . . . 100.0 104.582 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -66.67 -39.2 88.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.959 -1.019 . . . . 100.0 113.053 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.82 -43.65 98.24 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.959 0.904 . . . . 100.0 110.832 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -77.44 145.81 36.9 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.868 0.867 . . . . 100.0 108.888 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -101.41 124.91 47.85 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 107.811 -1.181 . . . . 100.0 107.811 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.312 44.0 m0 53.32 40.42 31.29 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 127.125 2.17 . . . . 100.0 116.199 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.88 -46.15 81.37 Favored Pre-proline 0 C--N 1.36 1.033 0 CA-C-O 117.361 -1.304 . . . . 100.0 110.15 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.87 -39.14 64.32 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.55 2.166 . . . . 100.0 111.385 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.468 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.6 mp0 -63.33 -41.15 98.88 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 124.327 1.017 . . . . 100.0 111.853 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.29 -43.96 96.42 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 123.249 0.343 . . . . 100.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -40.04 88.81 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.931 1.086 . . . . 100.0 113.931 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.07 128.59 37.11 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 123.418 0.687 . . . . 100.0 111.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.5 m -66.41 -44.05 84.06 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.723 1.209 . . . . 100.0 109.928 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -121.65 133.17 54.97 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.485 -1.672 . . . . 100.0 106.485 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.9 13.81 57.52 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-O 117.567 -1.685 . . . . 100.0 116.422 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -60.8 -44.18 97.19 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.919 1.86 . . . . 100.0 113.417 -178.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.04 -47.15 78.38 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.114 0.416 . . . . 100.0 111.328 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -92.22 61.48 3.92 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 112.379 0.511 . . . . 100.0 112.379 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.3 p -144.15 154.99 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 106.584 -1.636 . . . . 100.0 106.584 177.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -73.04 151.98 41.48 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.149 -1.797 . . . . 100.0 106.149 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -61.54 -43.84 90.04 Favored Pre-proline 0 C--N 1.354 0.799 0 N-CA-C 115.784 1.772 . . . . 100.0 115.784 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -61.54 -30.38 86.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.431 2.087 . . . . 100.0 115.817 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -113.21 126.24 55.21 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 119.369 0.986 . . . . 100.0 111.176 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.59 123.61 50.37 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 108.418 -0.956 . . . . 100.0 108.418 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.59 -40.04 95.63 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 125.479 1.511 . . . . 100.0 111.918 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 72.7 mtm -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.552 0.741 . . . . 100.0 110.963 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.91 -43.09 93.96 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 115.074 1.509 . . . . 100.0 115.074 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -108.69 122.74 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 N-CA-C 108.437 -0.949 . . . . 100.0 108.437 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.15 -41.17 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 125.093 1.357 . . . . 100.0 108.562 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.07 142.85 47.61 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.718 0.807 . . . . 100.0 110.886 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 53.82 42.22 31.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.521 1.528 . . . . 100.0 113.982 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -76.16 131.84 39.62 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.147 -2.538 . . . . 100.0 104.147 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--O 1.258 1.534 0 N-CA-C 107.23 -1.396 . . . . 100.0 107.23 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 109.011 -1.636 . . . . 100.0 109.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -80.08 166.98 20.98 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.358 -0.978 . . . . 100.0 108.358 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 m -83.1 73.72 10.05 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 105.977 -1.86 . . . . 100.0 105.977 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.98 44.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 105.814 -1.921 . . . . 100.0 105.814 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.419 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.29 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.692 -0.686 . . . . 100.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.93 23.34 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.835 1.654 . . . . 100.0 113.414 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.1 p 49.99 48.84 21.34 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.629 1.972 . . . . 100.0 113.76 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.705 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.01 57.52 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.803 1.241 . . . . 100.0 111.72 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.705 ' H ' HG23 ' A' ' 8' ' ' THR . 72.7 mt-10 58.36 36.28 25.38 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.665 2.386 . . . . 100.0 113.26 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.22 8.85 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.266 -0.879 . . . . 100.0 110.457 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.94 12.72 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 115.856 1.799 . . . . 100.0 115.856 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.788 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.12 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-O 122.143 0.973 . . . . 100.0 112.118 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.9 m -166.34 177.58 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.244 2.218 . . . . 100.0 107.942 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.99 99.77 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 106.093 -1.818 . . . . 100.0 106.093 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.13 -174.22 3.49 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.894 1.278 . . . . 100.0 108.025 177.063 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.66 -43.23 97.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 120.298 3.444 . . . . 100.0 120.298 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.664 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.37 -178.7 6.99 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 118.043 2.609 . . . . 100.0 118.043 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.4 p -71.92 167.63 19.67 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.815 2.046 . . . . 100.0 112.136 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.23 86.13 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.513 1.125 . . . . 100.0 109.785 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.58 -39.13 90.08 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.561 1.544 . . . . 100.0 109.384 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.23 8.93 35.95 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.122 1.369 . . . . 100.0 112.433 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.73 -44.9 99.54 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.131 -1.89 . . . . 100.0 114.15 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.6 -35.4 89.99 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 122.729 2.01 . . . . 100.0 112.218 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.86 -39.4 90.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.233 1.413 . . . . 100.0 110.882 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.41 -9.91 57.64 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.57 1.548 . . . . 100.0 111.023 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.81 39.18 14.18 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.851 2.06 . . . . 100.0 107.934 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.44 -40.37 95.6 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.27 -1.332 . . . . 100.0 110.946 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.14 -45.67 92.39 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 123.606 0.762 . . . . 100.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -65.2 -39.26 92.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.096 2.158 . . . . 100.0 114.222 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 72.71 9.59 5.58 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.645 1.978 . . . . 100.0 113.858 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -113.83 124.85 53.24 Favored 'General case' 0 N--CA 1.439 -1.0 1 N-CA-C 99.874 -4.121 . . . . 100.0 99.874 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.491 ' HB3' ' HZ2' ' A' ' 39' ' ' LYS . 54.4 t-20 -96.94 120.25 36.93 Favored 'General case' 0 CA--C 1.495 -1.163 0 C-N-CA 117.77 -1.572 . . . . 100.0 109.457 -176.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.52 -39.98 98.24 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 125.874 1.702 . . . . 100.0 113.512 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -73.1 164.35 26.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 126.684 1.993 . . . . 100.0 110.127 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 60.73 71.65 0.56 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 124.716 1.206 . . . . 100.0 107.751 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.46 -44.97 92.88 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.699 -1.591 . . . . 100.0 110.516 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.9 mt -88.43 90.11 8.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.765 -0.828 . . . . 100.0 108.765 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.491 ' HZ2' ' HB3' ' A' ' 33' ' ' ASN . 94.4 mttt -103.93 115.0 29.66 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 103.984 -2.599 . . . . 100.0 103.984 177.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -66.14 -38.91 89.3 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.094 -1.412 . . . . 100.0 112.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -62.09 -43.79 98.08 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.09 0.956 . . . . 100.0 110.979 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -81.64 146.66 29.95 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.189 0.518 . . . . 100.0 110.549 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.7 124.18 41.92 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.952 -0.759 . . . . 100.0 108.952 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.4 m0 52.93 41.33 31.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.287 2.235 . . . . 100.0 112.91 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.402 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 41.6 t80 -62.89 -46.83 87.73 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 117.188 -1.387 . . . . 100.0 111.553 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.402 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 44.8 Cg_endo -61.71 -37.13 70.6 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 122.228 1.952 . . . . 100.0 111.849 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.2 -39.28 92.59 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 124.299 0.999 . . . . 100.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.77 -44.97 95.83 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 124.121 0.968 . . . . 100.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.6 -42.1 92.05 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.054 0.942 . . . . 100.0 113.154 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.22 130.62 41.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 114.077 1.14 . . . . 100.0 114.077 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -65.62 -44.17 87.34 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.378 1.471 . . . . 100.0 109.617 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.83 128.51 56.44 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 108.114 -1.069 . . . . 100.0 108.114 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.47 58.19 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 118.945 -0.919 . . . . 100.0 112.5 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -59.94 -46.76 88.36 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.308 1.443 . . . . 100.0 112.652 -177.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.61 -46.79 68.34 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 122.276 0.231 . . . . 100.0 111.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -91.75 62.78 4.48 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.358 0.599 . . . . 100.0 112.077 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.9 p -145.59 154.8 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 106.832 -1.544 . . . . 100.0 106.832 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -71.63 149.24 45.78 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.626 -1.99 . . . . 100.0 105.626 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -61.49 -42.72 85.94 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.942 -1.504 . . . . 100.0 114.574 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -60.49 -32.21 93.4 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.256 1.971 . . . . 100.0 115.617 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -108.15 126.25 52.56 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 119.206 0.912 . . . . 100.0 110.793 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.2 mt -113.19 117.69 32.61 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 106.797 -1.557 . . . . 100.0 106.797 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.403 ' HB3' HG21 ' A' ' 70' ' ' THR . 98.8 m-20 -63.02 -41.32 99.52 Favored 'General case' 0 CA--C 1.494 -1.184 0 C-N-CA 125.789 1.636 . . . . 100.0 112.727 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.1 mmt -63.17 -43.95 96.83 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 112.333 0.494 . . . . 100.0 112.333 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.14 -41.08 90.93 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 115.11 1.522 . . . . 100.0 115.11 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.29 122.1 58.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 N-CA-C 108.585 -0.894 . . . . 100.0 108.585 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.22 -42.85 96.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 125.155 1.382 . . . . 100.0 110.24 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -74.18 143.67 45.13 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 112.6 0.593 . . . . 100.0 112.6 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 52.95 41.87 32.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 126.672 1.989 . . . . 100.0 113.454 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.403 HG21 ' HB3' ' A' ' 63' ' ' ASP . 22.5 m -81.21 131.4 35.29 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.23 -2.137 . . . . 100.0 105.23 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.259 1.562 0 CA-C-O 117.567 -1.206 . . . . 100.0 108.111 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.003 -1.639 . . . . 100.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.01 167.01 20.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.383 -0.969 . . . . 100.0 108.383 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.14 73.7 10.06 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 105.99 -1.855 . . . . 100.0 105.99 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.97 44.42 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 105.794 -1.928 . . . . 100.0 105.794 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.425 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.34 139.11 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.649 -0.705 . . . . 100.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.813 1.645 . . . . 100.0 113.415 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.254 64.9 p 49.98 48.92 21.21 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.723 2.009 . . . . 100.0 113.687 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.715 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.38 132.34 44.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.378 -0.971 . . . . 100.0 108.378 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.04 57.52 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.827 1.251 . . . . 100.0 111.757 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.715 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.42 36.25 25.28 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 127.675 2.39 . . . . 100.0 113.223 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.463 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.24 8.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 115.273 -0.876 . . . . 100.0 110.472 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.89 12.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 115.842 1.793 . . . . 100.0 115.842 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.769 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.03 120.05 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 122.121 0.962 . . . . 100.0 112.111 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.29 177.62 6.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 127.288 2.235 . . . . 100.0 108.005 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.98 99.77 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 106.084 -1.821 . . . . 100.0 106.084 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.17 3.48 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.911 1.285 . . . . 100.0 108.056 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.7 -43.18 98.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 120.354 3.464 . . . . 100.0 120.354 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.664 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.42 -178.62 6.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 118.061 2.615 . . . . 100.0 118.061 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.2 p -72.0 167.68 19.63 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.769 2.028 . . . . 100.0 112.147 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.524 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.24 -39.31 86.28 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 124.58 1.152 . . . . 100.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.425 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.48 -39.25 90.27 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.628 1.571 . . . . 100.0 109.385 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.87 36.05 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.138 1.375 . . . . 100.0 112.479 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.624 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.97 99.63 Favored Pre-proline 0 C--N 1.371 1.509 0 CA-C-O 116.129 -1.891 . . . . 100.0 114.094 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.62 -35.4 89.9 Favored 'Trans proline' 0 C--N 1.378 2.118 0 CA-C-N 122.763 2.022 . . . . 100.0 112.211 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.84 -39.4 90.75 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.199 1.4 . . . . 100.0 110.928 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.664 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.36 -9.91 57.56 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.555 1.542 . . . . 100.0 111.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m 61.8 39.21 14.2 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.884 2.074 . . . . 100.0 107.911 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.39 -40.38 95.68 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-N 114.248 -1.342 . . . . 100.0 110.932 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.2 -44.61 96.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.592 0.757 . . . . 100.0 109.71 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.79 -37.38 81.96 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.498 1.519 . . . . 100.0 113.835 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.299 75.4 m-85 69.9 17.95 7.4 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.19 1.796 . . . . 100.0 113.481 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.431 HH22 ' HB2' ' A' ' 48' ' ' GLU . 78.6 mtp180 -117.65 126.47 52.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 100.98 -3.711 . . . . 100.0 100.98 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.51 ' HB3' ' HZ2' ' A' ' 39' ' ' LYS . 22.1 t-20 -82.36 119.16 23.8 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 107.734 -1.209 . . . . 100.0 107.734 -177.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.63 99.69 Favored Glycine 0 C--N 1.355 1.626 0 C-N-CA 125.389 1.471 . . . . 100.0 114.461 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.386 30.4 p90 -77.05 163.96 26.17 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 117.231 0.516 . . . . 100.0 112.123 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 63.36 70.5 0.53 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.691 1.596 . . . . 100.0 106.844 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.9 -44.46 97.1 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 124.456 1.102 . . . . 100.0 111.668 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.1 94.65 9.86 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 106.993 -1.484 . . . . 100.0 106.993 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HZ2' ' HB3' ' A' ' 33' ' ' ASN . 97.2 mttt -104.31 114.36 28.54 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 103.498 -2.778 . . . . 100.0 103.498 178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -66.16 -40.86 90.85 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 115.079 -0.964 . . . . 100.0 112.319 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.32 -42.91 99.04 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.11 0.964 . . . . 100.0 111.556 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -80.13 146.79 31.66 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 121.158 0.504 . . . . 100.0 109.731 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -101.19 127.3 47.82 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 107.705 -1.22 . . . . 100.0 107.705 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.434 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 42.5 m0 53.17 41.33 32.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.872 2.069 . . . . 100.0 113.643 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.3 -48.76 82.03 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 117.14 -1.409 . . . . 100.0 110.987 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.91 -37.8 63.29 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 121.924 1.75 . . . . 100.0 112.345 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.434 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.8 mp0 -63.28 -41.7 99.01 Favored 'General case' 0 N--CA 1.435 -1.18 0 O-C-N 124.409 1.068 . . . . 100.0 111.775 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' HB2' HH22 ' A' ' 32' ' ' ARG . 95.4 mt-10 -63.54 -42.89 98.39 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 123.092 0.245 . . . . 100.0 110.56 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.25 -41.09 94.65 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 112.99 0.737 . . . . 100.0 112.99 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.5 129.95 40.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 113.937 1.088 . . . . 100.0 113.937 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -66.22 -44.14 84.66 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.188 1.395 . . . . 100.0 110.117 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -115.66 129.82 56.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.271 -1.381 . . . . 100.0 107.271 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.76 12.58 57.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 118.759 -1.023 . . . . 100.0 114.18 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.23 -46.84 88.38 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.879 1.272 . . . . 100.0 112.476 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.7 -46.0 73.49 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 123.044 0.538 . . . . 100.0 111.846 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 60.4 3.98 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 113.105 0.779 . . . . 100.0 113.105 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -147.88 153.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 106.382 -1.71 . . . . 100.0 106.382 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.96 156.45 36.29 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.326 -1.361 . . . . 100.0 107.326 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.74 -44.06 93.93 Favored Pre-proline 0 C--N 1.353 0.732 0 N-CA-C 116.129 1.9 . . . . 100.0 116.129 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -61.48 -30.54 86.8 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.379 2.053 . . . . 100.0 116.268 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.89 123.41 49.03 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-N 119.414 1.006 . . . . 100.0 110.006 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.79 121.67 43.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 122.304 1.049 . . . . 100.0 109.137 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -62.92 -40.18 96.83 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.594 -1.639 . . . . 100.0 111.722 -179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.38 -45.05 96.0 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.227 1.011 . . . . 100.0 111.682 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.83 -42.06 91.02 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.213 1.56 . . . . 100.0 115.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.2 122.22 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 108.736 -0.839 . . . . 100.0 108.736 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.23 -42.93 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 C-N-CA 125.295 1.438 . . . . 100.0 109.575 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -73.84 146.2 44.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 123.727 0.811 . . . . 100.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 54.23 40.61 31.86 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.078 1.751 . . . . 100.0 113.704 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.1 m -80.44 131.82 35.64 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 105.166 -2.161 . . . . 100.0 105.166 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--O 1.257 1.482 0 N-CA-C 107.525 -1.287 . . . . 100.0 107.525 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -80.11 166.96 20.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.343 -0.984 . . . . 100.0 108.343 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.8 m -83.08 73.73 10.04 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.963 -1.866 . . . . 100.0 105.963 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.45 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.808 -1.923 . . . . 100.0 105.808 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.42 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.27 139.05 58.73 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.665 -0.698 . . . . 100.0 111.207 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.89 23.31 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.854 1.662 . . . . 100.0 113.443 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.5 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.63 1.972 . . . . 100.0 113.748 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.713 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 108.404 -0.962 . . . . 100.0 108.404 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.07 57.53 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.851 1.26 . . . . 100.0 111.687 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.713 ' H ' HG23 ' A' ' 8' ' ' THR . 72.5 mt-10 58.5 36.19 25.11 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.669 2.388 . . . . 100.0 113.22 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.479 ' HG3' HG21 ' A' ' 13' ' ' ILE . 23.9 pt20 -121.61 26.19 8.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.289 -0.868 . . . . 100.0 110.514 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.27 52.84 12.79 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 115.818 1.784 . . . . 100.0 115.818 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.764 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.14 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.172 0.987 . . . . 100.0 112.123 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.4 m -166.33 177.61 6.71 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 127.262 2.225 . . . . 100.0 107.989 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.92 99.73 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.431 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.13 -174.27 3.5 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 124.953 1.301 . . . . 100.0 108.034 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.61 -43.22 97.7 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 120.306 3.447 . . . . 100.0 120.306 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.663 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.1 mmm -84.44 -178.68 6.98 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 118.026 2.602 . . . . 100.0 118.026 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -71.92 167.69 19.54 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.773 2.029 . . . . 100.0 112.157 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.526 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.27 86.29 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.552 1.141 . . . . 100.0 109.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.42 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.5 -39.19 90.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.628 1.571 . . . . 100.0 109.384 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.25 8.89 36.16 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.081 1.352 . . . . 100.0 112.411 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.623 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.61 -45.0 99.68 Favored Pre-proline 0 C--N 1.371 1.53 0 CA-C-O 116.17 -1.872 . . . . 100.0 114.141 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -60.56 -35.43 90.1 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 122.671 1.99 . . . . 100.0 112.171 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -39.39 90.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.208 1.403 . . . . 100.0 110.884 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.663 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -70.35 -9.95 57.66 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.542 1.537 . . . . 100.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.76 39.21 14.31 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.854 2.062 . . . . 100.0 107.965 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.37 -40.44 95.85 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.226 -1.352 . . . . 100.0 110.927 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.09 -44.68 96.14 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.653 0.781 . . . . 100.0 109.729 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.81 -38.63 86.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.509 1.524 . . . . 100.0 113.484 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.252 92.5 m-85 69.28 17.07 8.34 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.657 1.983 . . . . 100.0 111.782 -175.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttm-85 -114.56 120.18 39.32 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.884 -4.117 . . . . 100.0 99.884 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -81.6 123.99 29.15 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.756 -0.461 . . . . 100.0 109.756 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.59 99.15 Favored Glycine 0 C--N 1.356 1.69 0 C-N-CA 124.612 1.101 . . . . 100.0 112.418 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.363 18.5 p90 -80.04 165.53 22.45 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.501 0.556 . . . . 100.0 112.501 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 67.4 77.39 0.26 Allowed 'General case' 0 C--N 1.361 1.088 0 N-CA-C 105.756 -1.942 . . . . 100.0 105.756 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 55.3 tp -60.29 -44.78 95.06 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.574 -1.648 . . . . 100.0 111.795 -178.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt -88.19 98.08 11.36 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 107.471 -1.307 . . . . 100.0 107.471 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.49 116.37 31.28 Favored 'General case' 0 CA--C 1.483 -1.619 0 N-CA-C 105.879 -1.897 . . . . 100.0 105.879 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.89 -40.88 83.43 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.809 -1.087 . . . . 100.0 110.685 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -62.16 -44.73 95.96 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 125.059 1.343 . . . . 100.0 112.05 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -86.72 148.0 25.62 Favored 'General case' 0 CA--C 1.493 -1.25 0 CA-C-O 121.519 0.676 . . . . 100.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -97.36 127.33 43.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 114.915 -1.038 . . . . 100.0 108.213 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.485 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 46.3 m0 53.72 39.96 30.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 126.911 2.085 . . . . 100.0 115.108 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.69 -46.34 82.64 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 117.452 -1.261 . . . . 100.0 110.642 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.42 -38.02 77.17 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.605 2.203 . . . . 100.0 111.545 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.485 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 53.0 mp0 -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 124.533 1.146 . . . . 100.0 111.914 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.88 -45.72 92.53 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 109.477 -0.564 . . . . 100.0 109.477 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.55 -40.16 88.91 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 114.332 1.234 . . . . 100.0 114.332 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 130.22 40.15 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 113.88 1.067 . . . . 100.0 113.88 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.9 p -64.95 -43.96 90.99 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.031 1.333 . . . . 100.0 112.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -115.53 129.65 56.61 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.499 -1.667 . . . . 100.0 106.499 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.84 9.75 56.93 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.092 -1.393 . . . . 100.0 114.814 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -60.92 -45.48 94.49 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.35 1.575 . . . . 100.0 113.474 -178.15 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -65.01 -48.26 74.56 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.065 0.393 . . . . 100.0 111.116 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -92.82 61.9 3.63 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 112.935 0.717 . . . . 100.0 112.935 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.0 p -139.98 155.0 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.278 -1.749 . . . . 100.0 106.278 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -71.9 149.04 45.5 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 105.34 -2.096 . . . . 100.0 105.34 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.51 -43.82 93.83 Favored Pre-proline 0 C--N 1.354 0.787 0 N-CA-C 115.497 1.666 . . . . 100.0 115.497 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -32.12 92.83 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.386 2.058 . . . . 100.0 115.618 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -110.61 128.11 55.54 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 118.904 0.775 . . . . 100.0 112.17 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.0 123.0 49.32 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 107.841 -1.17 . . . . 100.0 107.841 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -62.7 -40.4 97.03 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 125.465 1.506 . . . . 100.0 112.048 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.84 -45.45 93.76 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.693 0.797 . . . . 100.0 111.291 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -66.38 -41.57 89.2 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 115.3 1.592 . . . . 100.0 115.3 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.77 123.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 CA-C-O 121.76 0.79 . . . . 100.0 108.958 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.97 -42.55 95.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 125.296 1.438 . . . . 100.0 109.294 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -72.38 143.68 48.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 124.02 0.928 . . . . 100.0 111.065 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 53.28 42.37 32.09 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 126.042 1.737 . . . . 100.0 113.766 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 38.4 m -81.25 127.49 32.76 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 104.264 -2.495 . . . . 100.0 104.264 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--O 1.258 1.519 0 CA-C-O 117.288 -1.339 . . . . 100.0 108.78 -179.421 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -79.98 167.02 21.01 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.403 -0.962 . . . . 100.0 108.403 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -83.14 73.69 10.06 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.966 -1.864 . . . . 100.0 105.966 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.95 44.46 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.818 -1.919 . . . . 100.0 105.818 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.422 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.708 -0.678 . . . . 100.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.99 33.87 23.27 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.835 1.654 . . . . 100.0 113.387 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.3 p 49.99 48.9 21.25 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.7 2.0 . . . . 100.0 113.711 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.35 132.36 44.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.405 -0.961 . . . . 100.0 108.405 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.07 57.53 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.832 1.253 . . . . 100.0 111.665 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.22 25.19 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 127.642 2.377 . . . . 100.0 113.232 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.65 26.27 8.83 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.276 -0.875 . . . . 100.0 110.495 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.1 52.89 12.84 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.874 1.805 . . . . 100.0 115.874 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.786 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.08 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 122.149 0.976 . . . . 100.0 112.181 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.1 m -166.28 177.62 6.73 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 127.254 2.222 . . . . 100.0 107.978 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.96 99.77 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 106.062 -1.829 . . . . 100.0 106.062 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.23 3.5 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 124.881 1.272 . . . . 100.0 107.992 177.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.62 -43.23 97.72 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 120.338 3.459 . . . . 100.0 120.338 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.667 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.44 -178.59 6.95 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 118.045 2.609 . . . . 100.0 118.045 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.407 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.0 p -71.98 167.68 19.61 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.778 2.031 . . . . 100.0 112.124 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.31 -39.26 86.37 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.58 1.152 . . . . 100.0 109.722 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.422 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.53 -39.15 90.0 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.579 1.551 . . . . 100.0 109.44 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.25 8.92 36.02 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.13 1.372 . . . . 100.0 112.426 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.99 99.66 Favored Pre-proline 0 C--N 1.371 1.51 0 CA-C-O 116.132 -1.89 . . . . 100.0 114.116 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.49 -35.53 90.06 Favored 'Trans proline' 0 C--N 1.379 2.142 0 CA-C-N 122.772 2.026 . . . . 100.0 112.212 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.85 -39.38 90.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.219 1.408 . . . . 100.0 110.873 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.667 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.563 1.545 . . . . 100.0 111.053 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m 61.85 39.14 14.09 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.832 2.053 . . . . 100.0 107.972 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.38 -40.39 95.73 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.235 -1.348 . . . . 100.0 110.927 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.18 -47.38 84.78 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 123.631 0.772 . . . . 100.0 109.7 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -65.98 -38.42 88.48 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.611 1.564 . . . . 100.0 114.162 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 71.61 11.5 6.46 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.998 2.119 . . . . 100.0 111.918 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -115.07 126.54 54.81 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 101.462 -3.533 . . . . 100.0 101.462 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -78.08 125.98 30.14 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 112.849 0.685 . . . . 100.0 112.849 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -39.75 98.08 Favored Glycine 0 C--N 1.355 1.632 0 C-N-CA 125.812 1.672 . . . . 100.0 111.648 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -68.96 152.53 45.15 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.508 1.123 . . . . 100.0 112.087 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 59.64 67.43 0.89 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.53 1.532 . . . . 100.0 110.527 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.58 -42.6 97.04 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 114.228 -1.351 . . . . 100.0 112.215 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.4 mt -85.38 86.47 7.37 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 106.456 -1.683 . . . . 100.0 106.456 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -100.12 113.4 26.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.226 -2.509 . . . . 100.0 104.226 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -66.76 -37.88 85.48 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.7 -1.136 . . . . 100.0 113.516 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.76 -45.44 94.32 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.874 0.87 . . . . 100.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -93.41 148.79 21.75 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 120.309 -0.556 . . . . 100.0 110.186 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.54 132.05 43.58 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.643 -0.708 . . . . 100.0 110.477 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.5 m95 55.75 38.37 30.0 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.627 2.371 . . . . 100.0 111.816 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -62.35 -49.52 83.58 Favored Pre-proline 0 C--N 1.358 0.953 0 CA-C-O 117.107 -1.425 . . . . 100.0 112.47 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -63.06 -37.28 53.75 Favored 'Trans proline' 0 C--N 1.38 2.222 0 CA-C-N 121.563 1.594 . . . . 100.0 112.077 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.11 -42.16 99.49 Favored 'General case' 0 CA--C 1.489 -1.378 0 O-C-N 124.303 1.002 . . . . 100.0 112.265 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.96 -42.93 97.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.389 0.43 . . . . 100.0 110.689 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.08 -41.35 95.13 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 113.113 0.782 . . . . 100.0 113.113 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.82 128.32 35.16 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 113.867 1.062 . . . . 100.0 113.867 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -65.74 -44.77 84.95 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.772 1.229 . . . . 100.0 110.52 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -117.06 130.66 56.81 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.481 -1.674 . . . . 100.0 106.481 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.73 52.83 Favored Glycine 0 N--CA 1.434 -1.462 0 CA-C-O 117.638 -1.646 . . . . 100.0 116.29 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.48 -45.68 93.22 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.966 1.883 . . . . 100.0 113.65 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -64.13 -48.76 74.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 118.202 0.455 . . . . 100.0 111.178 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -93.04 63.79 3.78 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 113.452 0.908 . . . . 100.0 113.452 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.34 153.62 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 106.223 -1.769 . . . . 100.0 106.223 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -72.54 149.88 43.67 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 105.012 -2.218 . . . . 100.0 105.012 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.21 -43.2 93.09 Favored Pre-proline 0 C--N 1.353 0.751 0 N-CA-C 117.707 2.484 . . . . 100.0 117.707 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.99 -26.56 78.73 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.208 1.939 . . . . 100.0 115.475 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -112.67 124.21 52.04 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 119.261 0.937 . . . . 100.0 110.361 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.67 119.29 36.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.113 -1.44 . . . . 100.0 107.113 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.68 -42.61 99.15 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 125.447 1.499 . . . . 100.0 113.219 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.96 -43.46 98.74 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.753 0.421 . . . . 100.0 112.124 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.86 -41.92 91.07 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 114.842 1.423 . . . . 100.0 114.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.78 125.05 65.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-O 121.711 0.767 . . . . 100.0 109.978 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.76 -41.87 93.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.845 1.658 . . . . 100.0 109.507 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.92 141.12 53.15 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.956 0.902 . . . . 100.0 111.203 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.21 42.6 32.13 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 126.199 1.8 . . . . 100.0 114.218 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -77.76 129.88 36.04 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 105.255 -2.128 . . . . 100.0 105.255 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 117.331 -1.319 . . . . 100.0 108.234 -179.271 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 108.963 -1.655 . . . . 100.0 108.963 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 167.0 20.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.5 m -83.12 73.69 10.05 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.969 -1.863 . . . . 100.0 105.969 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.96 44.44 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.782 -1.932 . . . . 100.0 105.782 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.421 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.41 139.1 58.74 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.636 -0.711 . . . . 100.0 111.196 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.88 33.95 23.36 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.839 1.656 . . . . 100.0 113.442 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.5 p 49.94 48.93 21.16 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.703 2.001 . . . . 100.0 113.722 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.699 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.4 m -71.4 132.35 44.69 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.369 -0.975 . . . . 100.0 108.369 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.08 57.53 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.83 1.252 . . . . 100.0 111.661 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.699 ' H ' HG23 ' A' ' 8' ' ' THR . 72.4 mt-10 58.41 36.25 25.29 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.716 2.406 . . . . 100.0 113.216 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.458 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.26 8.86 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.305 -0.861 . . . . 100.0 110.511 178.521 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.19 52.85 12.85 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.87 1.804 . . . . 100.0 115.87 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.77 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -104.98 120.12 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 CA-C-O 122.115 0.959 . . . . 100.0 112.159 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.32 177.62 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.32 2.248 . . . . 100.0 107.989 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 106.079 -1.823 . . . . 100.0 106.079 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.438 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.06 -174.2 3.5 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.916 1.286 . . . . 100.0 108.062 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.25 97.84 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 120.318 3.451 . . . . 100.0 120.318 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.653 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.39 -178.6 6.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 118.056 2.613 . . . . 100.0 118.056 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.5 p -71.95 167.68 19.58 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.801 2.041 . . . . 100.0 112.154 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.52 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.29 -39.22 86.15 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 124.517 1.127 . . . . 100.0 109.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.421 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.16 90.17 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.62 1.568 . . . . 100.0 109.379 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.3 8.96 35.97 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.115 1.366 . . . . 100.0 112.417 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.4 m -58.69 -44.97 99.64 Favored Pre-proline 0 C--N 1.372 1.544 0 CA-C-O 116.119 -1.896 . . . . 100.0 114.157 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.5 -35.52 90.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 CA-C-N 122.728 2.01 . . . . 100.0 112.188 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.148 1.379 . . . . 100.0 110.924 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.42 -9.93 57.73 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.586 1.554 . . . . 100.0 110.999 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.19 14.21 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.865 2.066 . . . . 100.0 107.957 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.438 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.39 95.66 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 114.257 -1.338 . . . . 100.0 110.888 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.15 -45.46 93.32 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 123.654 0.782 . . . . 100.0 109.697 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -67.87 -35.44 78.54 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 124.175 0.99 . . . . 100.0 113.383 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.278 64.8 m-85 66.85 25.19 9.6 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.473 1.509 . . . . 100.0 112.203 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -122.17 124.46 43.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 101.134 -3.654 . . . . 100.0 101.134 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.669 ' HB3' ' HZ1' ' A' ' 39' ' ' LYS . 44.3 t-20 -79.85 116.76 20.19 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 107.107 -1.442 . . . . 100.0 107.107 -178.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.01 -41.37 99.67 Favored Glycine 0 C--N 1.355 1.629 0 C-N-CA 125.401 1.476 . . . . 100.0 114.075 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.353 40.1 p90 -73.3 152.06 41.09 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 112.964 0.727 . . . . 100.0 112.964 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 64.08 75.46 0.38 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 126.58 1.952 . . . . 100.0 108.046 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.19 -44.46 96.55 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 124.169 0.988 . . . . 100.0 110.664 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.28 92.2 9.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 107.423 -1.325 . . . . 100.0 107.423 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.669 ' HZ1' ' HB3' ' A' ' 33' ' ' ASN . 96.6 mttt -103.57 112.41 25.32 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 103.021 -2.955 . . . . 100.0 103.021 178.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -66.1 -38.77 89.06 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 124.05 0.94 . . . . 100.0 112.075 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -62.21 -44.16 97.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.536 1.134 . . . . 100.0 111.144 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -80.31 149.41 30.32 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 109.096 -0.705 . . . . 100.0 109.096 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.08 126.61 51.33 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.265 -1.383 . . . . 100.0 107.265 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.439 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.4 m0 54.81 39.42 31.41 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 126.642 1.977 . . . . 100.0 114.053 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.8 t80 -63.49 -48.1 82.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-O 117.367 -1.301 . . . . 100.0 110.6 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.1 Cg_endo -62.75 -36.01 65.23 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.1 1.867 . . . . 100.0 111.997 177.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.439 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.7 mp0 -63.77 -40.88 97.76 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 124.189 0.931 . . . . 100.0 111.588 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.27 -43.35 98.2 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 110.149 -0.315 . . . . 100.0 110.149 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.86 -41.87 95.33 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 113.311 0.856 . . . . 100.0 113.311 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.97 129.86 40.11 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.556 1.317 . . . . 100.0 114.556 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.1 m -65.21 -45.06 86.29 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 114.252 -1.34 . . . . 100.0 110.146 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -115.9 130.05 56.66 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 107.599 -1.26 . . . . 100.0 107.599 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.19 12.85 58.77 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-O 118.415 -1.214 . . . . 100.0 114.21 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.84 -46.46 89.18 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.72 1.26 . . . . 100.0 112.791 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -66.22 -47.71 72.96 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 123.029 0.532 . . . . 100.0 111.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -92.03 62.36 4.21 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 113.209 0.818 . . . . 100.0 113.209 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -147.14 155.69 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 107.03 -1.47 . . . . 100.0 107.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -72.85 149.71 43.3 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.237 -1.764 . . . . 100.0 106.237 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.39 -44.01 94.68 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 116.274 1.953 . . . . 100.0 116.274 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.86 -26.61 74.62 Favored 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.572 2.181 . . . . 100.0 115.076 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -109.58 123.42 49.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 119.02 0.827 . . . . 100.0 110.153 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.6 mt -114.63 119.98 38.6 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 122.149 0.976 . . . . 100.0 108.376 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.95 -41.19 99.44 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 113.805 -1.543 . . . . 100.0 112.301 -179.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 35.9 mmt -63.75 -41.83 97.95 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.397 0.518 . . . . 100.0 112.397 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -64.27 -43.46 94.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.893 1.071 . . . . 100.0 113.893 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.54 124.24 69.02 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 109.089 -0.708 . . . . 100.0 109.089 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.46 -41.3 91.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 125.306 1.442 . . . . 100.0 109.205 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -67.26 139.98 57.34 Favored 'General case' 0 CA--C 1.503 -0.85 0 C-N-CA 124.68 1.192 . . . . 100.0 110.665 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 53.57 42.23 31.95 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.473 1.909 . . . . 100.0 114.202 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 25.1 m -81.38 129.83 34.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 105.388 -2.079 . . . . 100.0 105.388 178.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.548 0 CA-C-O 117.177 -1.392 . . . . 100.0 107.354 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 108.959 -1.656 . . . . 100.0 108.959 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.09 167.05 20.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.409 -0.96 . . . . 100.0 108.409 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 m -83.14 73.67 10.06 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 105.915 -1.883 . . . . 100.0 105.915 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.98 44.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.779 -1.934 . . . . 100.0 105.779 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' MET . . . . . 0.432 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.36 139.07 58.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.637 -0.71 . . . . 100.0 111.213 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.95 33.87 23.28 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.798 1.639 . . . . 100.0 113.413 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 65.4 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.669 1.988 . . . . 100.0 113.717 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.718 HG23 ' H ' ' A' ' 10' ' ' GLU . 30.1 m -71.36 132.29 44.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.401 -0.962 . . . . 100.0 108.401 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.63 -0.09 57.54 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.825 1.25 . . . . 100.0 111.753 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.718 ' H ' HG23 ' A' ' 8' ' ' THR . 72.7 mt-10 58.44 36.26 25.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 127.641 2.376 . . . . 100.0 113.223 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.469 ' HG3' HG21 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.24 8.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.248 -0.887 . . . . 100.0 110.508 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.92 12.75 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.853 1.797 . . . . 100.0 115.853 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.773 ' H ' HD12 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-O 122.131 0.967 . . . . 100.0 112.133 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.5 m -166.32 177.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 127.258 2.223 . . . . 100.0 107.995 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.93 99.73 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 106.092 -1.818 . . . . 100.0 106.092 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.432 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.08 -174.19 3.49 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 124.91 1.284 . . . . 100.0 108.018 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.74 -43.18 98.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 120.343 3.46 . . . . 100.0 120.343 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.661 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 118.065 2.617 . . . . 100.0 118.065 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.401 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.7 p -71.91 167.7 19.52 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 126.847 2.059 . . . . 100.0 112.172 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.517 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.38 -39.2 86.42 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.491 1.117 . . . . 100.0 109.739 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.17 90.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.583 1.553 . . . . 100.0 109.388 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.83 36.2 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 125.133 1.373 . . . . 100.0 112.464 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.619 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m -58.63 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.514 0 CA-C-O 116.13 -1.891 . . . . 100.0 114.167 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.45 -35.53 90.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.732 2.011 . . . . 100.0 112.251 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.81 -39.34 90.8 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.194 1.398 . . . . 100.0 110.927 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.661 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.44 -9.95 57.81 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.533 1.533 . . . . 100.0 111.006 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.26 14.14 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.865 2.066 . . . . 100.0 107.949 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.432 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -40.4 95.57 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-N 114.212 -1.358 . . . . 100.0 110.878 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.04 -44.64 96.26 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.609 0.763 . . . . 100.0 109.759 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.97 -39.13 90.11 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.774 1.229 . . . . 100.0 112.181 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 71.28 11.8 6.75 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.171 2.188 . . . . 100.0 111.923 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -125.63 126.83 45.35 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 100.546 -3.872 . . . . 100.0 100.546 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -78.76 127.89 32.68 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 115.072 1.508 . . . . 100.0 115.072 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.19 -41.49 99.71 Favored Glycine 0 C--N 1.355 1.616 0 C-N-CA 125.824 1.678 . . . . 100.0 111.841 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -72.01 160.07 33.14 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.032 0.933 . . . . 100.0 112.24 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . 0.267 46.7 m-85 66.59 79.54 0.24 Allowed 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 125.979 1.712 . . . . 100.0 107.75 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.86 -45.47 94.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.14 -1.391 . . . . 100.0 111.793 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 tp -92.45 98.66 11.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 106.951 -1.5 . . . . 100.0 106.951 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.54 115.55 30.13 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 105.734 -1.951 . . . . 100.0 105.734 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -42.89 86.23 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.297 -1.319 . . . . 100.0 110.248 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.23 -44.44 95.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 C-N-CA 124.61 1.164 . . . . 100.0 112.855 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.71 146.42 27.43 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 121.488 0.661 . . . . 100.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.5 128.33 43.33 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.989 -1.005 . . . . 100.0 111.065 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.435 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.9 m0 52.48 39.3 27.51 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.581 2.352 . . . . 100.0 114.519 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -64.1 -48.85 76.49 Favored Pre-proline 0 N--CA 1.437 -1.082 0 CA-C-O 117.209 -1.376 . . . . 100.0 111.687 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.43 -34.87 75.08 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 121.86 1.706 . . . . 100.0 111.373 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.435 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.1 mp0 -63.38 -40.07 96.25 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 124.164 0.915 . . . . 100.0 111.702 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.47 -43.32 97.65 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 110.095 -0.335 . . . . 100.0 110.095 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.19 -39.68 89.87 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 113.679 0.992 . . . . 100.0 113.679 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.91 129.19 38.41 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.504 0.927 . . . . 100.0 113.504 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -67.89 -42.52 81.09 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.302 1.041 . . . . 100.0 109.401 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.07 128.76 55.47 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.325 -1.361 . . . . 100.0 107.325 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.48 15.28 56.16 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.031 -1.427 . . . . 100.0 115.638 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.307 1.554 . . . . 100.0 112.951 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.97 -47.16 75.52 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 112.261 0.467 . . . . 100.0 112.261 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -91.48 60.85 4.2 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 113.095 0.776 . . . . 100.0 113.095 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -145.76 155.26 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 N-CA-C 107.027 -1.471 . . . . 100.0 107.027 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -73.75 153.91 39.81 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 107.734 -1.21 . . . . 100.0 107.734 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.27 -44.56 96.44 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 115.536 1.68 . . . . 100.0 115.536 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.45 -26.28 76.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.015 1.81 . . . . 100.0 115.797 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -111.07 123.99 51.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 118.865 0.757 . . . . 100.0 110.368 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -114.76 119.92 38.3 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.616 -1.253 . . . . 100.0 107.616 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.33 -41.03 98.23 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 125.585 1.554 . . . . 100.0 111.873 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.42 -45.06 95.89 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.493 1.117 . . . . 100.0 111.928 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.74 -42.38 86.31 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 115.609 1.707 . . . . 100.0 115.609 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -107.66 125.0 64.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 119.938 -0.705 . . . . 100.0 109.652 -176.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.01 -43.73 97.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 125.732 1.613 . . . . 100.0 109.987 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.71 146.92 39.77 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 123.136 0.574 . . . . 100.0 111.315 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 55.17 39.99 31.61 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.063 1.745 . . . . 100.0 113.48 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.4 m -79.26 132.54 36.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.614 -1.995 . . . . 100.0 105.614 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--O 1.257 1.488 0 N-CA-C 107.585 -1.265 . . . . 100.0 107.585 179.791 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.015 -1.634 . . . . 100.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.03 166.99 21.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.366 -0.976 . . . . 100.0 108.366 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.11 73.7 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.944 -1.872 . . . . 100.0 105.944 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.58 157.94 44.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.809 -1.922 . . . . 100.0 105.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.05 58.73 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.195 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.83 23.26 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.781 1.632 . . . . 100.0 113.459 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.8 p 50.02 48.92 21.25 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.694 1.998 . . . . 100.0 113.692 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.748 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.43 132.32 44.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.369 -0.974 . . . . 100.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.67 -0.11 57.54 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 100.0 111.735 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.25 25.12 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.713 2.405 . . . . 100.0 113.168 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.64 26.18 8.89 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.3 -0.864 . . . . 100.0 110.504 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.25 52.83 12.83 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 115.855 1.798 . . . . 100.0 115.855 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.1 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.157 0.98 . . . . 100.0 112.127 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 100.0 m -166.32 177.62 6.7 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 127.235 2.214 . . . . 100.0 107.951 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.94 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.108 -1.812 . . . . 100.0 106.108 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.12 -174.23 3.5 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 124.889 1.275 . . . . 100.0 108.021 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.66 -43.24 97.85 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.316 3.451 . . . . 100.0 120.316 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.645 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.35 -178.65 6.98 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 118.078 2.621 . . . . 100.0 118.078 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.6 p -71.96 167.68 19.59 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.785 2.034 . . . . 100.0 112.107 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.9 m-85 -60.31 -39.22 86.2 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.553 1.141 . . . . 100.0 109.764 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.57 -39.17 90.19 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.588 1.555 . . . . 100.0 109.38 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.24 8.95 35.88 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.102 1.361 . . . . 100.0 112.452 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.2 m -58.72 -44.93 99.58 Favored Pre-proline 0 C--N 1.371 1.54 0 CA-C-O 116.089 -1.91 . . . . 100.0 114.138 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.54 -35.46 90.11 Favored 'Trans proline' 0 C--N 1.378 2.115 0 CA-C-N 122.742 2.015 . . . . 100.0 112.221 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.83 -39.34 90.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.168 1.387 . . . . 100.0 110.968 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.36 -9.93 57.62 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.557 1.543 . . . . 100.0 111.046 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.75 39.24 14.32 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.89 2.076 . . . . 100.0 107.968 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.38 95.65 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.214 -1.357 . . . . 100.0 110.959 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.1 -46.13 90.4 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.563 0.745 . . . . 100.0 109.791 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.68 -38.45 86.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.194 1.183 . . . . 100.0 114.194 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.272 78.2 m-85 68.08 18.95 9.37 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.351 1.86 . . . . 100.0 111.688 -174.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -118.98 125.51 49.57 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.51 126.58 30.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.227 0.537 . . . . 100.0 110.995 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.581 0 C-N-CA 125.454 1.502 . . . . 100.0 114.089 -179.303 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.477 -1.846 0 N-CA-C 105.254 -2.128 . . . . 100.0 105.254 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -70.03 -40.8 74.98 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 113.862 -1.517 . . . . 100.0 109.363 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -63.13 -45.4 92.16 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 125.053 1.341 . . . . 100.0 111.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -83.68 149.13 26.7 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.665 0.745 . . . . 100.0 111.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -93.29 125.36 37.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.554 -1.203 . . . . 100.0 112.746 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 m95 52.17 40.38 28.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.42 2.288 . . . . 100.0 112.606 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.63 -47.37 88.26 Favored Pre-proline 0 N--CA 1.439 -0.983 0 CA-C-O 117.094 -1.431 . . . . 100.0 113.644 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.8 -38.86 67.28 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.191 1.927 . . . . 100.0 111.276 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -64.07 -40.52 96.44 Favored 'General case' 0 N--CA 1.432 -1.355 0 O-C-N 124.625 1.203 . . . . 100.0 111.833 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.81 -44.23 96.7 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 122.89 0.476 . . . . 100.0 110.156 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -40.32 90.03 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 113.289 0.848 . . . . 100.0 113.289 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.74 128.62 36.98 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 113.001 0.741 . . . . 100.0 113.001 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -66.87 -45.41 78.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.158 1.383 . . . . 100.0 109.32 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -118.74 131.53 56.13 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 106.652 -1.61 . . . . 100.0 106.652 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.46 12.44 58.31 Favored Glycine 0 N--CA 1.435 -1.369 0 CA-C-O 118.235 -1.314 . . . . 100.0 113.705 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.41 -46.35 90.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.871 1.335 . . . . 100.0 113.429 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.76 -46.21 72.72 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 118.023 0.374 . . . . 100.0 111.441 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.85 60.06 3.81 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.786 1.032 . . . . 100.0 113.786 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.59 153.62 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 105.84 -1.911 . . . . 100.0 105.84 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.85 156.3 36.6 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.919 -1.141 . . . . 100.0 107.919 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -60.04 -44.36 96.44 Favored Pre-proline 0 C--N 1.353 0.735 0 N-CA-C 117.232 2.308 . . . . 100.0 117.232 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.61 -24.98 75.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.302 2.002 . . . . 100.0 115.87 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -110.16 121.96 46.5 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 119.276 0.943 . . . . 100.0 109.295 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.69 120.32 38.96 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 122.047 0.927 . . . . 100.0 108.556 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.35 -41.62 98.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.602 1.561 . . . . 100.0 111.594 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.5 mtp -61.38 -45.69 93.32 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.485 0.714 . . . . 100.0 112.488 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -66.34 -40.24 89.73 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 115.56 1.689 . . . . 100.0 115.56 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.48 121.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 108.246 -1.02 . . . . 100.0 108.246 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.84 -42.8 95.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 C-N-CA 125.237 1.415 . . . . 100.0 110.213 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -78.14 148.95 33.91 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-O 121.1 0.476 . . . . 100.0 111.258 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 54.1 42.04 31.75 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.877 1.671 . . . . 100.0 113.392 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -80.25 132.2 35.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 104.421 -2.437 . . . . 100.0 104.421 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--O 1.258 1.509 0 CA-C-O 117.523 -1.227 . . . . 100.0 107.762 179.774 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 108.961 -1.655 . . . . 100.0 108.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.12 167.04 20.88 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.36 -0.978 . . . . 100.0 108.36 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 105.97 -1.863 . . . . 100.0 105.97 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.53 157.98 44.43 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 105.829 -1.915 . . . . 100.0 105.829 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.35 139.08 58.73 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.648 -0.705 . . . . 100.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.849 1.66 . . . . 100.0 113.441 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.6 p 50.02 48.85 21.36 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.656 1.983 . . . . 100.0 113.742 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.37 132.33 44.69 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.356 -0.979 . . . . 100.0 108.356 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.75 -0.02 57.52 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.795 1.238 . . . . 100.0 111.709 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.29 25.24 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.666 2.386 . . . . 100.0 113.204 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.72 26.26 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.476 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.12 52.95 12.7 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 115.823 1.786 . . . . 100.0 115.823 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.811 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.15 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-O 122.152 0.977 . . . . 100.0 112.076 -179.455 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.0 m -166.39 177.63 6.65 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 127.303 2.241 . . . . 100.0 108.02 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.91 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.064 -1.828 . . . . 100.0 106.064 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.14 -174.16 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.864 1.266 . . . . 100.0 107.992 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.68 -43.26 97.91 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 120.317 3.451 . . . . 100.0 120.317 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.32 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 118.091 2.626 . . . . 100.0 118.091 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.8 p -71.94 167.68 19.58 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.779 2.032 . . . . 100.0 112.171 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.35 -39.15 86.12 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.509 1.124 . . . . 100.0 109.757 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.59 -39.22 90.43 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.611 1.565 . . . . 100.0 109.376 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.19 8.92 35.88 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.078 1.351 . . . . 100.0 112.493 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m -58.63 -44.94 99.62 Favored Pre-proline 0 C--N 1.371 1.542 0 CA-C-O 116.141 -1.885 . . . . 100.0 114.181 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.55 -35.48 89.95 Favored 'Trans proline' 0 C--N 1.378 2.096 0 CA-C-N 122.744 2.016 . . . . 100.0 112.174 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -39.38 90.63 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.183 1.393 . . . . 100.0 110.908 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.34 -9.96 57.64 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.531 1.532 . . . . 100.0 111.063 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.22 14.23 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.861 2.065 . . . . 100.0 107.952 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.437 0 CA-C-N 114.207 -1.361 . . . . 100.0 110.951 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.19 -45.37 93.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.647 0.779 . . . . 100.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.0 -38.77 92.05 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 128.312 2.645 . . . . 100.0 113.429 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.253 88.2 m-85 72.12 11.49 6.0 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.971 2.108 . . . . 100.0 114.516 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -118.29 127.34 53.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 101.649 -3.463 . . . . 100.0 101.649 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -82.89 122.08 27.78 Favored 'General case' 0 CA--C 1.492 -1.255 0 CA-C-O 121.123 0.487 . . . . 100.0 111.286 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.514 0 C-N-CA 126.264 1.888 . . . . 100.0 112.821 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 CA--C 1.482 -1.673 0 N-CA-C 105.962 -1.866 . . . . 100.0 105.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.99 -39.95 83.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.599 -1.182 . . . . 100.0 108.935 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.34 -45.6 93.76 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.218 1.407 . . . . 100.0 112.06 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.31 148.45 25.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 121.612 0.72 . . . . 100.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.01 125.09 39.44 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.953 -1.021 . . . . 100.0 108.63 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.252 40.4 m0 52.79 39.11 28.19 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.97 1.841 . . . . 100.0 115.97 179.701 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.406 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 59.3 t80 -63.69 -48.27 80.4 Favored Pre-proline 0 N--CA 1.441 -0.922 0 CA-C-O 117.29 -1.338 . . . . 100.0 111.077 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 32.1 Cg_endo -61.77 -37.87 64.33 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.117 1.878 . . . . 100.0 112.127 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.9 mp0 -63.22 -41.15 99.08 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.198 0.936 . . . . 100.0 111.724 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.0 -43.75 97.93 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.265 0.353 . . . . 100.0 110.484 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -42.34 96.82 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.762 0.825 . . . . 100.0 112.517 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.51 128.23 35.43 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.827 1.047 . . . . 100.0 113.827 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.8 m -66.76 -44.12 82.29 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.059 1.344 . . . . 100.0 108.42 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -117.02 130.14 56.48 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 107.67 -1.233 . . . . 100.0 107.67 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.29 11.62 60.08 Favored Glycine 0 N--CA 1.436 -1.342 0 CA-C-O 118.16 -1.356 . . . . 100.0 114.869 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 57' ' ' VAL . 68.6 mm-40 -60.52 -44.04 96.46 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 115.487 1.662 . . . . 100.0 115.487 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -66.41 -46.41 76.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 118.419 0.554 . . . . 100.0 110.777 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -92.07 61.4 3.99 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.562 0.949 . . . . 100.0 113.562 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.4 p -145.88 156.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 107.366 -1.346 . . . . 100.0 107.366 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -73.04 153.49 40.85 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.116 -1.438 . . . . 100.0 107.116 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -61.01 -43.71 92.04 Favored Pre-proline 0 C--N 1.354 0.773 0 N-CA-C 115.712 1.745 . . . . 100.0 115.712 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.95 -31.14 91.15 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.294 1.996 . . . . 100.0 115.544 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -109.72 126.19 53.45 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-N 119.001 0.818 . . . . 100.0 111.476 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.4 mt -113.55 120.85 42.4 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 107.328 -1.36 . . . . 100.0 107.328 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.44 -42.34 99.39 Favored 'General case' 0 CA--C 1.495 -1.169 0 C-N-CA 125.23 1.412 . . . . 100.0 112.934 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.4 mtm -63.44 -42.22 98.67 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 112.345 0.498 . . . . 100.0 112.345 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.26 -42.57 96.4 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 114.428 1.27 . . . . 100.0 114.428 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.06 123.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 108.903 -0.777 . . . . 100.0 108.903 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -42.21 94.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.955 1.302 . . . . 100.0 109.792 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.9 144.12 49.1 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.017 0.927 . . . . 100.0 111.031 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.09 41.24 32.1 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.011 1.724 . . . . 100.0 113.966 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.2 m -81.73 131.03 35.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--O 1.257 1.489 0 N-CA-C 107.389 -1.338 . . . . 100.0 107.389 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 108.988 -1.645 . . . . 100.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.02 166.99 21.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.393 -0.966 . . . . 100.0 108.393 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.13 73.74 10.05 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.99 44.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.77 -1.937 . . . . 100.0 105.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.37 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.92 33.9 23.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.808 1.643 . . . . 100.0 113.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 63.0 p 49.97 48.86 21.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.677 1.991 . . . . 100.0 113.76 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.35 132.34 44.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.362 -0.977 . . . . 100.0 108.362 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.71 -0.13 57.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.844 1.258 . . . . 100.0 111.687 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.763 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.22 25.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.666 2.386 . . . . 100.0 113.218 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.66 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.51 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.13 52.97 12.67 Favored 'General case' 0 C--N 1.361 1.101 0 N-CA-C 115.83 1.789 . . . . 100.0 115.83 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-O 122.113 0.958 . . . . 100.0 112.133 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.8 m -166.3 177.63 6.71 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 127.208 2.203 . . . . 100.0 107.967 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.91 99.71 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.107 -1.812 . . . . 100.0 106.107 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.21 -174.2 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.875 1.27 . . . . 100.0 107.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.27 97.78 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 120.276 3.436 . . . . 100.0 120.276 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.641 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 118.005 2.594 . . . . 100.0 118.005 -176.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -72.0 167.67 19.66 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.739 2.016 . . . . 100.0 112.169 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.31 -39.21 86.2 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 124.508 1.123 . . . . 100.0 109.77 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.12 90.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.574 1.549 . . . . 100.0 109.401 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.29 8.94 36.01 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 125.104 1.361 . . . . 100.0 112.463 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.62 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.15 -1.881 . . . . 100.0 114.155 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -60.56 -35.44 90.09 Favored 'Trans proline' 0 C--N 1.378 2.124 0 CA-C-N 122.704 2.001 . . . . 100.0 112.208 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.89 -39.34 90.55 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.183 1.393 . . . . 100.0 110.911 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.38 -9.93 57.64 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.555 1.542 . . . . 100.0 111.028 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.5 m 61.78 39.26 14.2 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.899 2.079 . . . . 100.0 107.921 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.42 95.68 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 114.259 -1.337 . . . . 100.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -48.0 82.17 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 123.609 0.764 . . . . 100.0 109.755 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -64.2 -38.88 92.64 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 126.044 1.737 . . . . 100.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 70.9 10.99 7.07 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.496 1.919 . . . . 100.0 112.716 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.495 HH21 ' HD1' ' A' ' 45' ' ' TYR . 72.7 mtp85 -114.99 122.97 47.88 Favored 'General case' 0 CA--C 1.495 -1.139 1 N-CA-C 98.23 -4.73 . . . . 100.0 98.23 177.473 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -81.81 128.15 33.71 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 116.085 -0.507 . . . . 100.0 109.697 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.552 0 C-N-CA 125.088 1.328 . . . . 100.0 113.007 -179.086 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 41' ' ' ASP . 88.2 tttt . . . . . 0 N--CA 1.428 -1.537 0 N-CA-C 105.604 -1.999 . . . . 100.0 105.604 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -65.85 -37.66 86.76 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-N 114.397 -1.274 . . . . 100.0 113.704 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 82.1 m-20 -61.02 -44.78 96.91 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.321 1.048 . . . . 100.0 110.588 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -85.95 147.1 26.39 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.358 0.599 . . . . 100.0 110.162 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.84 127.38 42.76 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.398 -0.819 . . . . 100.0 111.038 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 53.85 37.48 26.55 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.626 2.37 . . . . 100.0 112.301 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HD1' HH21 ' A' ' 32' ' ' ARG . 41.4 t80 -63.65 -47.87 81.43 Favored Pre-proline 0 C--N 1.359 1.007 0 CA-C-O 117.215 -1.374 . . . . 100.0 113.724 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.17 -36.67 68.0 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.913 1.742 . . . . 100.0 111.776 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -64.52 -39.8 94.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.049 0.94 . . . . 100.0 111.738 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.76 -45.2 93.78 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 122.857 0.463 . . . . 100.0 109.783 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.44 -42.02 96.24 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 113.075 0.769 . . . . 100.0 113.075 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -73.48 126.84 31.14 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 122.119 0.961 . . . . 100.0 113.362 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -66.68 -43.35 84.67 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.252 1.421 . . . . 100.0 109.885 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -113.9 128.68 56.5 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 106.813 -1.551 . . . . 100.0 106.813 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.01 10.4 56.99 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 118.521 -1.155 . . . . 100.0 113.995 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 57' ' ' VAL . 86.8 tt0 -60.55 -46.35 90.53 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.658 1.229 . . . . 100.0 112.97 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.27 -47.85 72.34 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 122.827 0.451 . . . . 100.0 111.395 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -92.82 64.36 4.02 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 113.669 0.988 . . . . 100.0 113.669 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.9 p -148.29 155.77 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 106.981 -1.489 . . . . 100.0 106.981 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -72.03 152.76 42.19 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.437 1.495 . . . . 100.0 107.166 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.24 -44.57 93.84 Favored Pre-proline 0 C--N 1.353 0.724 0 CA-C-O 116.927 -1.511 . . . . 100.0 115.046 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.49 -23.5 64.53 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.458 2.105 . . . . 100.0 115.747 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -108.26 120.22 41.74 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 119.303 0.956 . . . . 100.0 108.592 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.85 119.43 35.38 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.938 0.875 . . . . 100.0 108.735 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.7 m-20 -62.95 -41.75 99.6 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 125.432 1.493 . . . . 100.0 111.827 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.09 -44.67 96.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.108 0.963 . . . . 100.0 111.768 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.92 -42.65 94.51 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 115.248 1.573 . . . . 100.0 115.248 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.61 123.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.01 -43.99 97.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 C-N-CA 125.238 1.415 . . . . 100.0 109.824 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.03 146.88 41.19 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 121.213 0.53 . . . . 100.0 112.121 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 54.01 42.35 31.68 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.144 1.778 . . . . 100.0 113.71 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 63' ' ' ASP . 45.1 m -81.95 130.89 35.21 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 105.436 -2.061 . . . . 100.0 105.436 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--O 1.258 1.501 0 CA-C-O 117.246 -1.359 . . . . 100.0 108.95 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 108.977 -1.649 . . . . 100.0 108.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 166.97 21.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.37 -0.974 . . . . 100.0 108.37 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.984 -1.858 . . . . 100.0 105.984 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.59 157.97 44.43 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 105.806 -1.924 . . . . 100.0 105.806 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.418 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.31 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.625 -0.716 . . . . 100.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.841 1.656 . . . . 100.0 113.424 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.2 p 49.99 48.88 21.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.644 1.977 . . . . 100.0 113.716 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.743 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.6 m -71.4 132.36 44.7 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.347 -0.983 . . . . 100.0 108.347 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.69 -0.15 57.54 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.871 1.268 . . . . 100.0 111.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.743 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.51 36.26 25.14 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.708 2.403 . . . . 100.0 113.17 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.68 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.33 -0.85 . . . . 100.0 110.496 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.96 12.67 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 115.807 1.78 . . . . 100.0 115.807 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.793 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.15 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 CA-C-O 122.092 0.949 . . . . 100.0 112.117 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.3 m -166.36 177.62 6.68 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 127.28 2.232 . . . . 100.0 107.965 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.065 -1.828 . . . . 100.0 106.065 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.16 -174.17 3.47 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 124.84 1.256 . . . . 100.0 108.017 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -60.71 -43.22 98.1 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.284 3.439 . . . . 100.0 120.284 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.642 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 118.073 2.62 . . . . 100.0 118.073 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.404 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.1 p -71.95 167.66 19.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.804 2.042 . . . . 100.0 112.158 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.34 -39.19 86.21 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.519 1.128 . . . . 100.0 109.755 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.19 90.26 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.627 1.571 . . . . 100.0 109.378 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.27 9.0 35.75 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.08 1.352 . . . . 100.0 112.446 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.69 -44.99 99.65 Favored Pre-proline 0 C--N 1.371 1.539 0 CA-C-O 116.109 -1.901 . . . . 100.0 114.12 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.48 -35.52 90.13 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-N 122.771 2.025 . . . . 100.0 112.202 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.255 1.422 . . . . 100.0 110.886 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.587 1.555 . . . . 100.0 111.037 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.19 14.27 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.837 2.055 . . . . 100.0 107.947 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.41 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 114.269 -1.332 . . . . 100.0 110.955 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.17 -47.3 85.14 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.609 0.764 . . . . 100.0 109.708 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.32 -38.08 84.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.81 1.244 . . . . 100.0 114.235 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.28 77.9 m-85 68.54 16.98 9.09 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.024 1.73 . . . . 100.0 112.441 -175.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -116.67 123.0 46.19 Favored 'General case' 0 N--CA 1.434 -1.274 1 N-CA-C 100.113 -4.032 . . . . 100.0 100.113 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.57 126.71 34.09 Favored 'General case' 0 CA--C 1.483 -1.603 0 C-N-CA 119.094 -1.042 . . . . 100.0 112.634 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 CA-C-N 113.382 -1.736 . . . . 100.0 111.55 179.1 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 CA--C 1.488 -1.407 0 N-CA-C 104.582 -2.377 . . . . 100.0 104.582 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -66.67 -39.2 88.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.959 -1.019 . . . . 100.0 113.053 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.82 -43.65 98.24 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.959 0.904 . . . . 100.0 110.832 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -77.44 145.81 36.9 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.868 0.867 . . . . 100.0 108.888 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -101.41 124.91 47.85 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 107.811 -1.181 . . . . 100.0 107.811 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.312 44.0 m0 53.32 40.42 31.29 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 127.125 2.17 . . . . 100.0 116.199 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.88 -46.15 81.37 Favored Pre-proline 0 C--N 1.36 1.033 0 CA-C-O 117.361 -1.304 . . . . 100.0 110.15 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.87 -39.14 64.32 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.55 2.166 . . . . 100.0 111.385 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.6 mp0 -63.33 -41.15 98.88 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 124.327 1.017 . . . . 100.0 111.853 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.29 -43.96 96.42 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 123.249 0.343 . . . . 100.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -40.04 88.81 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.931 1.086 . . . . 100.0 113.931 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.07 128.59 37.11 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 123.418 0.687 . . . . 100.0 111.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.5 m -66.41 -44.05 84.06 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.723 1.209 . . . . 100.0 109.928 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -121.65 133.17 54.97 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.485 -1.672 . . . . 100.0 106.485 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.9 13.81 57.52 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-O 117.567 -1.685 . . . . 100.0 116.422 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.5 tt0 -60.8 -44.18 97.19 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.919 1.86 . . . . 100.0 113.417 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.04 -47.15 78.38 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.114 0.416 . . . . 100.0 111.328 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -92.22 61.48 3.92 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 112.379 0.511 . . . . 100.0 112.379 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.3 p -144.15 154.99 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 106.584 -1.636 . . . . 100.0 106.584 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -73.04 151.98 41.48 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.149 -1.797 . . . . 100.0 106.149 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -61.54 -43.84 90.04 Favored Pre-proline 0 C--N 1.354 0.799 0 N-CA-C 115.784 1.772 . . . . 100.0 115.784 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -61.54 -30.38 86.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.431 2.087 . . . . 100.0 115.817 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -113.21 126.24 55.21 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 119.369 0.986 . . . . 100.0 111.176 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.59 123.61 50.37 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 108.418 -0.956 . . . . 100.0 108.418 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.59 -40.04 95.63 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 125.479 1.511 . . . . 100.0 111.918 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 72.7 mtm -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.552 0.741 . . . . 100.0 110.963 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.91 -43.09 93.96 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 115.074 1.509 . . . . 100.0 115.074 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -108.69 122.74 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 N-CA-C 108.437 -0.949 . . . . 100.0 108.437 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.15 -41.17 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 125.093 1.357 . . . . 100.0 108.562 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.07 142.85 47.61 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.718 0.807 . . . . 100.0 110.886 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 53.82 42.22 31.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.521 1.528 . . . . 100.0 113.982 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -76.16 131.84 39.62 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.147 -2.538 . . . . 100.0 104.147 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--O 1.258 1.534 0 N-CA-C 107.23 -1.396 . . . . 100.0 107.23 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 109.011 -1.636 . . . . 100.0 109.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -80.08 166.98 20.98 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.358 -0.978 . . . . 100.0 108.358 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 m -83.1 73.72 10.05 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 105.977 -1.86 . . . . 100.0 105.977 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.98 44.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 105.814 -1.921 . . . . 100.0 105.814 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.29 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.692 -0.686 . . . . 100.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.93 23.34 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.835 1.654 . . . . 100.0 113.414 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.1 p 49.99 48.84 21.34 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.629 1.972 . . . . 100.0 113.76 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.752 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.01 57.52 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.803 1.241 . . . . 100.0 111.72 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.752 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.36 36.28 25.38 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.665 2.386 . . . . 100.0 113.26 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.66 26.22 8.85 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.266 -0.879 . . . . 100.0 110.457 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.94 12.72 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 115.856 1.799 . . . . 100.0 115.856 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.834 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.12 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-O 122.143 0.973 . . . . 100.0 112.118 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.9 m -166.34 177.58 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.244 2.218 . . . . 100.0 107.942 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.99 99.77 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 106.093 -1.818 . . . . 100.0 106.093 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.13 -174.22 3.49 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.894 1.278 . . . . 100.0 108.025 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.66 -43.23 97.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 120.298 3.444 . . . . 100.0 120.298 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.37 -178.7 6.99 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 118.043 2.609 . . . . 100.0 118.043 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.4 p -71.92 167.63 19.67 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.815 2.046 . . . . 100.0 112.136 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.23 86.13 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.513 1.125 . . . . 100.0 109.785 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.58 -39.13 90.08 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.561 1.544 . . . . 100.0 109.384 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.23 8.93 35.95 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.122 1.369 . . . . 100.0 112.433 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.73 -44.9 99.54 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.131 -1.89 . . . . 100.0 114.15 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.6 -35.4 89.99 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 122.729 2.01 . . . . 100.0 112.218 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.86 -39.4 90.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.233 1.413 . . . . 100.0 110.882 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.41 -9.91 57.64 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.57 1.548 . . . . 100.0 111.023 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.81 39.18 14.18 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.851 2.06 . . . . 100.0 107.934 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.37 95.6 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.27 -1.332 . . . . 100.0 110.946 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.14 -45.67 92.39 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 123.606 0.762 . . . . 100.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -65.2 -39.26 92.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.096 2.158 . . . . 100.0 114.222 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 72.71 9.59 5.58 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.645 1.978 . . . . 100.0 113.858 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -113.83 124.85 53.24 Favored 'General case' 0 N--CA 1.439 -1.0 1 N-CA-C 99.874 -4.121 . . . . 100.0 99.874 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -96.94 120.25 36.93 Favored 'General case' 0 CA--C 1.495 -1.163 0 C-N-CA 117.77 -1.572 . . . . 100.0 109.457 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.46 0 C-N-CA 125.874 1.702 . . . . 100.0 113.512 179.589 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 CA--C 1.481 -1.704 0 N-CA-C 103.984 -2.599 . . . . 100.0 103.984 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -66.14 -38.91 89.3 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.094 -1.412 . . . . 100.0 112.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -62.09 -43.79 98.08 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.09 0.956 . . . . 100.0 110.979 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -81.64 146.66 29.95 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.189 0.518 . . . . 100.0 110.549 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.7 124.18 41.92 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.952 -0.759 . . . . 100.0 108.952 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.4 m0 52.93 41.33 31.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.287 2.235 . . . . 100.0 112.91 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 41.6 t80 -62.89 -46.83 87.73 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 117.188 -1.387 . . . . 100.0 111.553 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 44.8 Cg_endo -61.71 -37.13 70.6 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 122.228 1.952 . . . . 100.0 111.849 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.2 -39.28 92.59 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 124.299 0.999 . . . . 100.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.77 -44.97 95.83 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 124.121 0.968 . . . . 100.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.6 -42.1 92.05 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.054 0.942 . . . . 100.0 113.154 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.22 130.62 41.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 114.077 1.14 . . . . 100.0 114.077 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -65.62 -44.17 87.34 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.378 1.471 . . . . 100.0 109.617 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.83 128.51 56.44 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 108.114 -1.069 . . . . 100.0 108.114 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.47 58.19 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 118.945 -0.919 . . . . 100.0 112.5 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 57' ' ' VAL . 96.7 mt-10 -59.94 -46.76 88.36 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.308 1.443 . . . . 100.0 112.652 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.61 -46.79 68.34 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 122.276 0.231 . . . . 100.0 111.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -91.75 62.78 4.48 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.358 0.599 . . . . 100.0 112.077 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.9 p -145.59 154.8 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 106.832 -1.544 . . . . 100.0 106.832 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -71.63 149.24 45.78 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.626 -1.99 . . . . 100.0 105.626 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -61.49 -42.72 85.94 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.942 -1.504 . . . . 100.0 114.574 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -60.49 -32.21 93.4 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.256 1.971 . . . . 100.0 115.617 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -108.15 126.25 52.56 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 119.206 0.912 . . . . 100.0 110.793 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.2 mt -113.19 117.69 32.61 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 106.797 -1.557 . . . . 100.0 106.797 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.8 m-20 -63.02 -41.32 99.52 Favored 'General case' 0 CA--C 1.494 -1.184 0 C-N-CA 125.789 1.636 . . . . 100.0 112.727 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.1 mmt -63.17 -43.95 96.83 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 112.333 0.494 . . . . 100.0 112.333 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.14 -41.08 90.93 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 115.11 1.522 . . . . 100.0 115.11 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.29 122.1 58.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 N-CA-C 108.585 -0.894 . . . . 100.0 108.585 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.22 -42.85 96.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 125.155 1.382 . . . . 100.0 110.24 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -74.18 143.67 45.13 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 112.6 0.593 . . . . 100.0 112.6 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 52.95 41.87 32.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 126.672 1.989 . . . . 100.0 113.454 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 63' ' ' ASP . 22.5 m -81.21 131.4 35.29 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.23 -2.137 . . . . 100.0 105.23 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.259 1.562 0 CA-C-O 117.567 -1.206 . . . . 100.0 108.111 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.003 -1.639 . . . . 100.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.01 167.01 20.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.383 -0.969 . . . . 100.0 108.383 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.14 73.7 10.06 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 105.99 -1.855 . . . . 100.0 105.99 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.97 44.42 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 105.794 -1.928 . . . . 100.0 105.794 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.419 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.34 139.11 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.649 -0.705 . . . . 100.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.813 1.645 . . . . 100.0 113.415 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.254 64.9 p 49.98 48.92 21.21 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.723 2.009 . . . . 100.0 113.687 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.762 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.38 132.34 44.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.378 -0.971 . . . . 100.0 108.378 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.04 57.52 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.827 1.251 . . . . 100.0 111.757 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.762 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.42 36.25 25.28 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 127.675 2.39 . . . . 100.0 113.223 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.62 26.24 8.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 115.273 -0.876 . . . . 100.0 110.472 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.89 12.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 115.842 1.793 . . . . 100.0 115.842 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.03 120.05 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 122.121 0.962 . . . . 100.0 112.111 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 23' ' ' CYS . 98.8 m -166.29 177.62 6.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 127.288 2.235 . . . . 100.0 108.005 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.98 99.77 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 106.084 -1.821 . . . . 100.0 106.084 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.17 3.48 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.911 1.285 . . . . 100.0 108.056 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.7 -43.18 98.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 120.354 3.464 . . . . 100.0 120.354 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.42 -178.62 6.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 118.061 2.615 . . . . 100.0 118.061 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.2 p -72.0 167.68 19.63 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.769 2.028 . . . . 100.0 112.147 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.24 -39.31 86.28 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 124.58 1.152 . . . . 100.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.48 -39.25 90.27 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.628 1.571 . . . . 100.0 109.385 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.87 36.05 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.138 1.375 . . . . 100.0 112.479 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.97 99.63 Favored Pre-proline 0 C--N 1.371 1.509 0 CA-C-O 116.129 -1.891 . . . . 100.0 114.094 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.62 -35.4 89.9 Favored 'Trans proline' 0 C--N 1.378 2.118 0 CA-C-N 122.763 2.022 . . . . 100.0 112.211 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.84 -39.4 90.75 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.199 1.4 . . . . 100.0 110.928 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.36 -9.91 57.56 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.555 1.542 . . . . 100.0 111.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m 61.8 39.21 14.2 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.884 2.074 . . . . 100.0 107.911 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.39 -40.38 95.68 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-N 114.248 -1.342 . . . . 100.0 110.932 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.2 -44.61 96.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.592 0.757 . . . . 100.0 109.71 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.79 -37.38 81.96 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.498 1.519 . . . . 100.0 113.835 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.299 75.4 m-85 69.9 17.95 7.4 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.19 1.796 . . . . 100.0 113.481 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 48' ' ' GLU . 78.6 mtp180 -117.65 126.47 52.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 100.98 -3.711 . . . . 100.0 100.98 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.36 119.16 23.8 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 107.734 -1.209 . . . . 100.0 107.734 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.626 0 C-N-CA 125.389 1.471 . . . . 100.0 114.461 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 103.498 -2.778 . . . . 100.0 103.498 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -66.16 -40.86 90.85 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 115.079 -0.964 . . . . 100.0 112.319 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.32 -42.91 99.04 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.11 0.964 . . . . 100.0 111.556 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -80.13 146.79 31.66 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 121.158 0.504 . . . . 100.0 109.731 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -101.19 127.3 47.82 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 107.705 -1.22 . . . . 100.0 107.705 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 42.5 m0 53.17 41.33 32.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.872 2.069 . . . . 100.0 113.643 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.3 -48.76 82.03 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 117.14 -1.409 . . . . 100.0 110.987 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.91 -37.8 63.29 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 121.924 1.75 . . . . 100.0 112.345 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.8 mp0 -63.28 -41.7 99.01 Favored 'General case' 0 N--CA 1.435 -1.18 0 O-C-N 124.409 1.068 . . . . 100.0 111.775 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HB2' HH22 ' A' ' 32' ' ' ARG . 95.4 mt-10 -63.54 -42.89 98.39 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 123.092 0.245 . . . . 100.0 110.56 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.25 -41.09 94.65 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 112.99 0.737 . . . . 100.0 112.99 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.5 129.95 40.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 113.937 1.088 . . . . 100.0 113.937 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -66.22 -44.14 84.66 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.188 1.395 . . . . 100.0 110.117 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -115.66 129.82 56.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.271 -1.381 . . . . 100.0 107.271 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.76 12.58 57.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 118.759 -1.023 . . . . 100.0 114.18 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.23 -46.84 88.38 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.879 1.272 . . . . 100.0 112.476 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.7 -46.0 73.49 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 123.044 0.538 . . . . 100.0 111.846 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 60.4 3.98 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 113.105 0.779 . . . . 100.0 113.105 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -147.88 153.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 106.382 -1.71 . . . . 100.0 106.382 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.96 156.45 36.29 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.326 -1.361 . . . . 100.0 107.326 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.74 -44.06 93.93 Favored Pre-proline 0 C--N 1.353 0.732 0 N-CA-C 116.129 1.9 . . . . 100.0 116.129 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -61.48 -30.54 86.8 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.379 2.053 . . . . 100.0 116.268 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.89 123.41 49.03 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-N 119.414 1.006 . . . . 100.0 110.006 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.79 121.67 43.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 122.304 1.049 . . . . 100.0 109.137 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.5 m-20 -62.92 -40.18 96.83 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.594 -1.639 . . . . 100.0 111.722 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.38 -45.05 96.0 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.227 1.011 . . . . 100.0 111.682 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.83 -42.06 91.02 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.213 1.56 . . . . 100.0 115.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.2 122.22 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 108.736 -0.839 . . . . 100.0 108.736 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.23 -42.93 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 C-N-CA 125.295 1.438 . . . . 100.0 109.575 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -73.84 146.2 44.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 123.727 0.811 . . . . 100.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 54.23 40.61 31.86 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.078 1.751 . . . . 100.0 113.704 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 63' ' ' ASP . 33.1 m -80.44 131.82 35.64 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 105.166 -2.161 . . . . 100.0 105.166 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--O 1.257 1.482 0 N-CA-C 107.525 -1.287 . . . . 100.0 107.525 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -80.11 166.96 20.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.343 -0.984 . . . . 100.0 108.343 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.8 m -83.08 73.73 10.04 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.963 -1.866 . . . . 100.0 105.963 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.45 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.808 -1.923 . . . . 100.0 105.808 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.414 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.27 139.05 58.73 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.665 -0.698 . . . . 100.0 111.207 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.89 23.31 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.854 1.662 . . . . 100.0 113.443 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.5 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.63 1.972 . . . . 100.0 113.748 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.756 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 108.404 -0.962 . . . . 100.0 108.404 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.07 57.53 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.851 1.26 . . . . 100.0 111.687 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.756 ' H ' HG22 ' A' ' 8' ' ' THR . 72.5 mt-10 58.5 36.19 25.11 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.669 2.388 . . . . 100.0 113.22 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.6 pt20 -121.61 26.19 8.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.289 -0.868 . . . . 100.0 110.514 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.27 52.84 12.79 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 115.818 1.784 . . . . 100.0 115.818 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.805 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.14 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.172 0.987 . . . . 100.0 112.123 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.4 m -166.33 177.61 6.71 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 127.262 2.225 . . . . 100.0 107.989 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.92 99.73 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.13 -174.27 3.5 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 124.953 1.301 . . . . 100.0 108.034 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.61 -43.22 97.7 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 120.306 3.447 . . . . 100.0 120.306 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.647 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.1 mmm -84.44 -178.68 6.98 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 118.026 2.602 . . . . 100.0 118.026 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -71.92 167.69 19.54 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.773 2.029 . . . . 100.0 112.157 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.513 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.27 86.29 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.552 1.141 . . . . 100.0 109.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.5 -39.19 90.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.628 1.571 . . . . 100.0 109.384 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.25 8.89 36.16 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.081 1.352 . . . . 100.0 112.411 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.61 -45.0 99.68 Favored Pre-proline 0 C--N 1.371 1.53 0 CA-C-O 116.17 -1.872 . . . . 100.0 114.141 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -60.56 -35.43 90.1 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 122.671 1.99 . . . . 100.0 112.171 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -39.39 90.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.208 1.403 . . . . 100.0 110.884 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -70.35 -9.95 57.66 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.542 1.537 . . . . 100.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.76 39.21 14.31 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.854 2.062 . . . . 100.0 107.965 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.37 -40.44 95.85 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.226 -1.352 . . . . 100.0 110.927 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.09 -44.68 96.14 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.653 0.781 . . . . 100.0 109.729 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.81 -38.63 86.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.509 1.524 . . . . 100.0 113.484 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.252 92.5 m-85 69.28 17.07 8.34 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.657 1.983 . . . . 100.0 111.782 -175.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttm-85 -114.56 120.18 39.32 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.884 -4.117 . . . . 100.0 99.884 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -81.6 123.99 29.15 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.756 -0.461 . . . . 100.0 109.756 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.69 0 C-N-CA 124.612 1.101 . . . . 100.0 112.418 179.687 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 CA--C 1.483 -1.619 0 N-CA-C 105.879 -1.897 . . . . 100.0 105.879 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.89 -40.88 83.43 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.809 -1.087 . . . . 100.0 110.685 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -62.16 -44.73 95.96 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 125.059 1.343 . . . . 100.0 112.05 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -86.72 148.0 25.62 Favored 'General case' 0 CA--C 1.493 -1.25 0 CA-C-O 121.519 0.676 . . . . 100.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -97.36 127.33 43.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 114.915 -1.038 . . . . 100.0 108.213 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 46.3 m0 53.72 39.96 30.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 126.911 2.085 . . . . 100.0 115.108 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.69 -46.34 82.64 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 117.452 -1.261 . . . . 100.0 110.642 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.42 -38.02 77.17 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.605 2.203 . . . . 100.0 111.545 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 53.0 mp0 -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 124.533 1.146 . . . . 100.0 111.914 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.88 -45.72 92.53 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 109.477 -0.564 . . . . 100.0 109.477 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.55 -40.16 88.91 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 114.332 1.234 . . . . 100.0 114.332 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 130.22 40.15 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 113.88 1.067 . . . . 100.0 113.88 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.9 p -64.95 -43.96 90.99 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.031 1.333 . . . . 100.0 112.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -115.53 129.65 56.61 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.499 -1.667 . . . . 100.0 106.499 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.84 9.75 56.93 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.092 -1.393 . . . . 100.0 114.814 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.9 tt0 -60.92 -45.48 94.49 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.35 1.575 . . . . 100.0 113.474 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -65.01 -48.26 74.56 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.065 0.393 . . . . 100.0 111.116 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -92.82 61.9 3.63 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 112.935 0.717 . . . . 100.0 112.935 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.0 p -139.98 155.0 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.278 -1.749 . . . . 100.0 106.278 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -71.9 149.04 45.5 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 105.34 -2.096 . . . . 100.0 105.34 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.51 -43.82 93.83 Favored Pre-proline 0 C--N 1.354 0.787 0 N-CA-C 115.497 1.666 . . . . 100.0 115.497 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -32.12 92.83 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.386 2.058 . . . . 100.0 115.618 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -110.61 128.11 55.54 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 118.904 0.775 . . . . 100.0 112.17 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.0 123.0 49.32 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 107.841 -1.17 . . . . 100.0 107.841 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.4 m-20 -62.7 -40.4 97.03 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 125.465 1.506 . . . . 100.0 112.048 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.84 -45.45 93.76 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.693 0.797 . . . . 100.0 111.291 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -66.38 -41.57 89.2 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 115.3 1.592 . . . . 100.0 115.3 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.77 123.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 CA-C-O 121.76 0.79 . . . . 100.0 108.958 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.97 -42.55 95.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 125.296 1.438 . . . . 100.0 109.294 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -72.38 143.68 48.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 124.02 0.928 . . . . 100.0 111.065 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 53.28 42.37 32.09 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 126.042 1.737 . . . . 100.0 113.766 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 63' ' ' ASP . 38.4 m -81.25 127.49 32.76 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 104.264 -2.495 . . . . 100.0 104.264 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--O 1.258 1.519 0 CA-C-O 117.288 -1.339 . . . . 100.0 108.78 -179.421 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -79.98 167.02 21.01 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.403 -0.962 . . . . 100.0 108.403 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -83.14 73.69 10.06 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.966 -1.864 . . . . 100.0 105.966 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.95 44.46 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.818 -1.919 . . . . 100.0 105.818 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.708 -0.678 . . . . 100.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.99 33.87 23.27 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.835 1.654 . . . . 100.0 113.387 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.3 p 49.99 48.9 21.25 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.7 2.0 . . . . 100.0 113.711 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.35 132.36 44.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.405 -0.961 . . . . 100.0 108.405 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.07 57.53 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.832 1.253 . . . . 100.0 111.665 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.732 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.22 25.19 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 127.642 2.377 . . . . 100.0 113.232 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.65 26.27 8.83 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.276 -0.875 . . . . 100.0 110.495 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.1 52.89 12.84 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.874 1.805 . . . . 100.0 115.874 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.826 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.08 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 122.149 0.976 . . . . 100.0 112.181 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.1 m -166.28 177.62 6.73 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 127.254 2.222 . . . . 100.0 107.978 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.96 99.77 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 106.062 -1.829 . . . . 100.0 106.062 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.1 -174.23 3.5 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 124.881 1.272 . . . . 100.0 107.992 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.62 -43.23 97.72 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 120.338 3.459 . . . . 100.0 120.338 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.44 -178.59 6.95 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 118.045 2.609 . . . . 100.0 118.045 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.407 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.0 p -71.98 167.68 19.61 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.778 2.031 . . . . 100.0 112.124 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.31 -39.26 86.37 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.58 1.152 . . . . 100.0 109.722 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.53 -39.15 90.0 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.579 1.551 . . . . 100.0 109.44 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.25 8.92 36.02 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.13 1.372 . . . . 100.0 112.426 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.99 99.66 Favored Pre-proline 0 C--N 1.371 1.51 0 CA-C-O 116.132 -1.89 . . . . 100.0 114.116 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.49 -35.53 90.06 Favored 'Trans proline' 0 C--N 1.379 2.142 0 CA-C-N 122.772 2.026 . . . . 100.0 112.212 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.85 -39.38 90.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.219 1.408 . . . . 100.0 110.873 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.563 1.545 . . . . 100.0 111.053 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m 61.85 39.14 14.09 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.832 2.053 . . . . 100.0 107.972 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.39 95.73 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.235 -1.348 . . . . 100.0 110.927 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.18 -47.38 84.78 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 123.631 0.772 . . . . 100.0 109.7 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -65.98 -38.42 88.48 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.611 1.564 . . . . 100.0 114.162 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 71.61 11.5 6.46 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.998 2.119 . . . . 100.0 111.918 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -115.07 126.54 54.81 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 101.462 -3.533 . . . . 100.0 101.462 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -78.08 125.98 30.14 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 112.849 0.685 . . . . 100.0 112.849 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.632 0 C-N-CA 125.812 1.672 . . . . 100.0 111.648 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 N--CA 1.431 -1.393 0 N-CA-C 104.226 -2.509 . . . . 100.0 104.226 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -66.76 -37.88 85.48 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.7 -1.136 . . . . 100.0 113.516 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.76 -45.44 94.32 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.874 0.87 . . . . 100.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -93.41 148.79 21.75 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 120.309 -0.556 . . . . 100.0 110.186 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.54 132.05 43.58 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.643 -0.708 . . . . 100.0 110.477 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.5 m95 55.75 38.37 30.0 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.627 2.371 . . . . 100.0 111.816 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -62.35 -49.52 83.58 Favored Pre-proline 0 C--N 1.358 0.953 0 CA-C-O 117.107 -1.425 . . . . 100.0 112.47 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -63.06 -37.28 53.75 Favored 'Trans proline' 0 C--N 1.38 2.222 0 CA-C-N 121.563 1.594 . . . . 100.0 112.077 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.11 -42.16 99.49 Favored 'General case' 0 CA--C 1.489 -1.378 0 O-C-N 124.303 1.002 . . . . 100.0 112.265 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.96 -42.93 97.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.389 0.43 . . . . 100.0 110.689 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.08 -41.35 95.13 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 113.113 0.782 . . . . 100.0 113.113 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.82 128.32 35.16 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 113.867 1.062 . . . . 100.0 113.867 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -65.74 -44.77 84.95 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.772 1.229 . . . . 100.0 110.52 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -117.06 130.66 56.81 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.481 -1.674 . . . . 100.0 106.481 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.73 52.83 Favored Glycine 0 N--CA 1.434 -1.462 0 CA-C-O 117.638 -1.646 . . . . 100.0 116.29 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.48 -45.68 93.22 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.966 1.883 . . . . 100.0 113.65 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -64.13 -48.76 74.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 118.202 0.455 . . . . 100.0 111.178 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -93.04 63.79 3.78 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 113.452 0.908 . . . . 100.0 113.452 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.34 153.62 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 106.223 -1.769 . . . . 100.0 106.223 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -72.54 149.88 43.67 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 105.012 -2.218 . . . . 100.0 105.012 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.21 -43.2 93.09 Favored Pre-proline 0 C--N 1.353 0.751 0 N-CA-C 117.707 2.484 . . . . 100.0 117.707 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.99 -26.56 78.73 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.208 1.939 . . . . 100.0 115.475 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -112.67 124.21 52.04 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 119.261 0.937 . . . . 100.0 110.361 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.67 119.29 36.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.113 -1.44 . . . . 100.0 107.113 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.68 -42.61 99.15 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 125.447 1.499 . . . . 100.0 113.219 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.96 -43.46 98.74 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.753 0.421 . . . . 100.0 112.124 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.86 -41.92 91.07 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 114.842 1.423 . . . . 100.0 114.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.78 125.05 65.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-O 121.711 0.767 . . . . 100.0 109.978 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.76 -41.87 93.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.845 1.658 . . . . 100.0 109.507 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.92 141.12 53.15 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.956 0.902 . . . . 100.0 111.203 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.21 42.6 32.13 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 126.199 1.8 . . . . 100.0 114.218 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -77.76 129.88 36.04 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 105.255 -2.128 . . . . 100.0 105.255 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 117.331 -1.319 . . . . 100.0 108.234 -179.271 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 108.963 -1.655 . . . . 100.0 108.963 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 167.0 20.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.5 m -83.12 73.69 10.05 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.969 -1.863 . . . . 100.0 105.969 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.96 44.44 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.782 -1.932 . . . . 100.0 105.782 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.41 139.1 58.74 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.636 -0.711 . . . . 100.0 111.196 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.88 33.95 23.36 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.839 1.656 . . . . 100.0 113.442 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.5 p 49.94 48.93 21.16 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.703 2.001 . . . . 100.0 113.722 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.4 m -71.4 132.35 44.69 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.369 -0.975 . . . . 100.0 108.369 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.08 57.53 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.83 1.252 . . . . 100.0 111.661 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.74 ' H ' HG22 ' A' ' 8' ' ' THR . 72.4 mt-10 58.41 36.25 25.29 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.716 2.406 . . . . 100.0 113.216 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.6 pt20 -121.62 26.26 8.86 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.305 -0.861 . . . . 100.0 110.511 178.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.19 52.85 12.85 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.87 1.804 . . . . 100.0 115.87 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.807 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -104.98 120.12 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 CA-C-O 122.115 0.959 . . . . 100.0 112.159 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.32 177.62 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.32 2.248 . . . . 100.0 107.989 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 106.079 -1.823 . . . . 100.0 106.079 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.06 -174.2 3.5 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.916 1.286 . . . . 100.0 108.062 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.25 97.84 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 120.318 3.451 . . . . 100.0 120.318 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.639 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.39 -178.6 6.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 118.056 2.613 . . . . 100.0 118.056 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.5 p -71.95 167.68 19.58 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.801 2.041 . . . . 100.0 112.154 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.29 -39.22 86.15 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 124.517 1.127 . . . . 100.0 109.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.16 90.17 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.62 1.568 . . . . 100.0 109.379 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.3 8.96 35.97 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.115 1.366 . . . . 100.0 112.417 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.4 m -58.69 -44.97 99.64 Favored Pre-proline 0 C--N 1.372 1.544 0 CA-C-O 116.119 -1.896 . . . . 100.0 114.157 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.5 -35.52 90.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 CA-C-N 122.728 2.01 . . . . 100.0 112.188 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.148 1.379 . . . . 100.0 110.924 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.42 -9.93 57.73 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.586 1.554 . . . . 100.0 110.999 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.19 14.21 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.865 2.066 . . . . 100.0 107.957 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.39 95.66 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 114.257 -1.338 . . . . 100.0 110.888 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.15 -45.46 93.32 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 123.654 0.782 . . . . 100.0 109.697 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -67.87 -35.44 78.54 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 124.175 0.99 . . . . 100.0 113.383 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.278 64.8 m-85 66.85 25.19 9.6 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.473 1.509 . . . . 100.0 112.203 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -122.17 124.46 43.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 101.134 -3.654 . . . . 100.0 101.134 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -79.85 116.76 20.19 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 107.107 -1.442 . . . . 100.0 107.107 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.629 0 C-N-CA 125.401 1.476 . . . . 100.0 114.075 -178.469 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 CA--C 1.491 -1.315 0 N-CA-C 103.021 -2.955 . . . . 100.0 103.021 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -66.1 -38.77 89.06 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 124.05 0.94 . . . . 100.0 112.075 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -62.21 -44.16 97.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.536 1.134 . . . . 100.0 111.144 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -80.31 149.41 30.32 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 109.096 -0.705 . . . . 100.0 109.096 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.08 126.61 51.33 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.265 -1.383 . . . . 100.0 107.265 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.4 m0 54.81 39.42 31.41 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 126.642 1.977 . . . . 100.0 114.053 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 46.8 t80 -63.49 -48.1 82.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-O 117.367 -1.301 . . . . 100.0 110.6 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 35.1 Cg_endo -62.75 -36.01 65.23 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.1 1.867 . . . . 100.0 111.997 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.7 mp0 -63.77 -40.88 97.76 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 124.189 0.931 . . . . 100.0 111.588 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.27 -43.35 98.2 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 110.149 -0.315 . . . . 100.0 110.149 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.86 -41.87 95.33 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 113.311 0.856 . . . . 100.0 113.311 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.97 129.86 40.11 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.556 1.317 . . . . 100.0 114.556 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.1 m -65.21 -45.06 86.29 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 114.252 -1.34 . . . . 100.0 110.146 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -115.9 130.05 56.66 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 107.599 -1.26 . . . . 100.0 107.599 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.19 12.85 58.77 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-O 118.415 -1.214 . . . . 100.0 114.21 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.84 -46.46 89.18 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.72 1.26 . . . . 100.0 112.791 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -66.22 -47.71 72.96 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 123.029 0.532 . . . . 100.0 111.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -92.03 62.36 4.21 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 113.209 0.818 . . . . 100.0 113.209 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -147.14 155.69 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 107.03 -1.47 . . . . 100.0 107.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -72.85 149.71 43.3 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.237 -1.764 . . . . 100.0 106.237 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.39 -44.01 94.68 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 116.274 1.953 . . . . 100.0 116.274 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.86 -26.61 74.62 Favored 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.572 2.181 . . . . 100.0 115.076 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -109.58 123.42 49.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 119.02 0.827 . . . . 100.0 110.153 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.6 mt -114.63 119.98 38.6 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 122.149 0.976 . . . . 100.0 108.376 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.1 m-20 -62.95 -41.19 99.44 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 113.805 -1.543 . . . . 100.0 112.301 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 35.9 mmt -63.75 -41.83 97.95 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.397 0.518 . . . . 100.0 112.397 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -64.27 -43.46 94.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.893 1.071 . . . . 100.0 113.893 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.54 124.24 69.02 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 109.089 -0.708 . . . . 100.0 109.089 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.46 -41.3 91.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 125.306 1.442 . . . . 100.0 109.205 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -67.26 139.98 57.34 Favored 'General case' 0 CA--C 1.503 -0.85 0 C-N-CA 124.68 1.192 . . . . 100.0 110.665 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 53.57 42.23 31.95 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.473 1.909 . . . . 100.0 114.202 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 63' ' ' ASP . 25.1 m -81.38 129.83 34.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 105.388 -2.079 . . . . 100.0 105.388 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.548 0 CA-C-O 117.177 -1.392 . . . . 100.0 107.354 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 108.959 -1.656 . . . . 100.0 108.959 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.09 167.05 20.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.409 -0.96 . . . . 100.0 108.409 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 m -83.14 73.67 10.06 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 105.915 -1.883 . . . . 100.0 105.915 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.98 44.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.779 -1.934 . . . . 100.0 105.779 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.36 139.07 58.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.637 -0.71 . . . . 100.0 111.213 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.95 33.87 23.28 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.798 1.639 . . . . 100.0 113.413 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 65.4 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.669 1.988 . . . . 100.0 113.717 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.1 m -71.36 132.29 44.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.401 -0.962 . . . . 100.0 108.401 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.63 -0.09 57.54 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.825 1.25 . . . . 100.0 111.753 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.44 36.26 25.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 127.641 2.376 . . . . 100.0 113.223 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.6 pt20 -121.64 26.24 8.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.248 -0.887 . . . . 100.0 110.508 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.92 12.75 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.853 1.797 . . . . 100.0 115.853 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.825 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-O 122.131 0.967 . . . . 100.0 112.133 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.5 m -166.32 177.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 127.258 2.223 . . . . 100.0 107.995 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.93 99.73 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 106.092 -1.818 . . . . 100.0 106.092 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.08 -174.19 3.49 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 124.91 1.284 . . . . 100.0 108.018 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.74 -43.18 98.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 120.343 3.46 . . . . 100.0 120.343 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.643 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 118.065 2.617 . . . . 100.0 118.065 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.401 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.7 p -71.91 167.7 19.52 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 126.847 2.059 . . . . 100.0 112.172 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.38 -39.2 86.42 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.491 1.117 . . . . 100.0 109.739 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.17 90.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.583 1.553 . . . . 100.0 109.388 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.83 36.2 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 125.133 1.373 . . . . 100.0 112.464 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m -58.63 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.514 0 CA-C-O 116.13 -1.891 . . . . 100.0 114.167 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.45 -35.53 90.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.732 2.011 . . . . 100.0 112.251 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.81 -39.34 90.8 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.194 1.398 . . . . 100.0 110.927 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.44 -9.95 57.81 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.533 1.533 . . . . 100.0 111.006 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.26 14.14 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.865 2.066 . . . . 100.0 107.949 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -40.4 95.57 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-N 114.212 -1.358 . . . . 100.0 110.878 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.04 -44.64 96.26 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.609 0.763 . . . . 100.0 109.759 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.97 -39.13 90.11 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.774 1.229 . . . . 100.0 112.181 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 71.28 11.8 6.75 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.171 2.188 . . . . 100.0 111.923 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -125.63 126.83 45.35 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 100.546 -3.872 . . . . 100.0 100.546 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -78.76 127.89 32.68 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 115.072 1.508 . . . . 100.0 115.072 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.616 0 C-N-CA 125.824 1.678 . . . . 100.0 111.841 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.48 -1.737 0 N-CA-C 105.734 -1.951 . . . . 100.0 105.734 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -42.89 86.23 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.297 -1.319 . . . . 100.0 110.248 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.23 -44.44 95.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 C-N-CA 124.61 1.164 . . . . 100.0 112.855 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.71 146.42 27.43 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 121.488 0.661 . . . . 100.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.5 128.33 43.33 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.989 -1.005 . . . . 100.0 111.065 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.9 m0 52.48 39.3 27.51 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.581 2.352 . . . . 100.0 114.519 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -64.1 -48.85 76.49 Favored Pre-proline 0 N--CA 1.437 -1.082 0 CA-C-O 117.209 -1.376 . . . . 100.0 111.687 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.43 -34.87 75.08 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 121.86 1.706 . . . . 100.0 111.373 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.1 mp0 -63.38 -40.07 96.25 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 124.164 0.915 . . . . 100.0 111.702 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.47 -43.32 97.65 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 110.095 -0.335 . . . . 100.0 110.095 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.19 -39.68 89.87 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 113.679 0.992 . . . . 100.0 113.679 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.91 129.19 38.41 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.504 0.927 . . . . 100.0 113.504 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -67.89 -42.52 81.09 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.302 1.041 . . . . 100.0 109.401 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.07 128.76 55.47 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.325 -1.361 . . . . 100.0 107.325 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.48 15.28 56.16 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.031 -1.427 . . . . 100.0 115.638 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.307 1.554 . . . . 100.0 112.951 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.97 -47.16 75.52 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 112.261 0.467 . . . . 100.0 112.261 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -91.48 60.85 4.2 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 113.095 0.776 . . . . 100.0 113.095 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -145.76 155.26 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 N-CA-C 107.027 -1.471 . . . . 100.0 107.027 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -73.75 153.91 39.81 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 107.734 -1.21 . . . . 100.0 107.734 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.27 -44.56 96.44 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 115.536 1.68 . . . . 100.0 115.536 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.45 -26.28 76.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.015 1.81 . . . . 100.0 115.797 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -111.07 123.99 51.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 118.865 0.757 . . . . 100.0 110.368 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -114.76 119.92 38.3 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.616 -1.253 . . . . 100.0 107.616 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.33 -41.03 98.23 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 125.585 1.554 . . . . 100.0 111.873 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.42 -45.06 95.89 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.493 1.117 . . . . 100.0 111.928 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.74 -42.38 86.31 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 115.609 1.707 . . . . 100.0 115.609 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -107.66 125.0 64.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 119.938 -0.705 . . . . 100.0 109.652 -176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.01 -43.73 97.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 125.732 1.613 . . . . 100.0 109.987 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.71 146.92 39.77 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 123.136 0.574 . . . . 100.0 111.315 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 55.17 39.99 31.61 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.063 1.745 . . . . 100.0 113.48 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.4 m -79.26 132.54 36.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.614 -1.995 . . . . 100.0 105.614 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 C--O 1.257 1.488 0 N-CA-C 107.585 -1.265 . . . . 100.0 107.585 179.791 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.015 -1.634 . . . . 100.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.03 166.99 21.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.366 -0.976 . . . . 100.0 108.366 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.11 73.7 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.944 -1.872 . . . . 100.0 105.944 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.58 157.94 44.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.809 -1.922 . . . . 100.0 105.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.05 58.73 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.195 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.83 23.26 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.781 1.632 . . . . 100.0 113.459 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.8 p 50.02 48.92 21.25 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.694 1.998 . . . . 100.0 113.692 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.748 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.43 132.32 44.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.369 -0.974 . . . . 100.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.67 -0.11 57.54 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 100.0 111.735 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.25 25.12 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.713 2.405 . . . . 100.0 113.168 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.64 26.18 8.89 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.3 -0.864 . . . . 100.0 110.504 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.25 52.83 12.83 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 115.855 1.798 . . . . 100.0 115.855 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.1 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.157 0.98 . . . . 100.0 112.127 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 100.0 m -166.32 177.62 6.7 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 127.235 2.214 . . . . 100.0 107.951 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.94 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.108 -1.812 . . . . 100.0 106.108 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.12 -174.23 3.5 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 124.889 1.275 . . . . 100.0 108.021 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.66 -43.24 97.85 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.316 3.451 . . . . 100.0 120.316 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.645 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.35 -178.65 6.98 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 118.078 2.621 . . . . 100.0 118.078 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.6 p -71.96 167.68 19.59 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.785 2.034 . . . . 100.0 112.107 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.9 m-85 -60.31 -39.22 86.2 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.553 1.141 . . . . 100.0 109.764 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.57 -39.17 90.19 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.588 1.555 . . . . 100.0 109.38 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.24 8.95 35.88 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.102 1.361 . . . . 100.0 112.452 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.2 m -58.72 -44.93 99.58 Favored Pre-proline 0 C--N 1.371 1.54 0 CA-C-O 116.089 -1.91 . . . . 100.0 114.138 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.54 -35.46 90.11 Favored 'Trans proline' 0 C--N 1.378 2.115 0 CA-C-N 122.742 2.015 . . . . 100.0 112.221 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.83 -39.34 90.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.168 1.387 . . . . 100.0 110.968 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.36 -9.93 57.62 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.557 1.543 . . . . 100.0 111.046 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.75 39.24 14.32 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.89 2.076 . . . . 100.0 107.968 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.43 -40.38 95.65 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.214 -1.357 . . . . 100.0 110.959 179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.1 -46.13 90.4 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.563 0.745 . . . . 100.0 109.791 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.68 -38.45 86.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.194 1.183 . . . . 100.0 114.194 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.272 78.2 m-85 68.08 18.95 9.37 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.351 1.86 . . . . 100.0 111.688 -174.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -118.98 125.51 49.57 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.51 126.58 30.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.227 0.537 . . . . 100.0 110.995 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.68 -41.96 99.76 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 125.454 1.502 . . . . 100.0 114.089 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.402 19.5 p90 -75.68 160.73 29.76 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 112.783 0.66 . . . . 100.0 112.783 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 70.24 82.4 0.16 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 105.218 -2.141 . . . . 100.0 105.218 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.87 -44.94 96.37 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.408 1.483 . . . . 100.0 111.172 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.32 94.5 9.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.329 -1.36 . . . . 100.0 107.329 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -106.43 112.53 25.58 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 105.254 -2.128 . . . . 100.0 105.254 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -70.03 -40.8 74.98 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 113.862 -1.517 . . . . 100.0 109.363 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -63.13 -45.4 92.16 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 125.053 1.341 . . . . 100.0 111.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -83.68 149.13 26.7 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.665 0.745 . . . . 100.0 111.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -93.29 125.36 37.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.554 -1.203 . . . . 100.0 112.746 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 m95 52.17 40.38 28.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.42 2.288 . . . . 100.0 112.606 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.63 -47.37 88.26 Favored Pre-proline 0 N--CA 1.439 -0.983 0 CA-C-O 117.094 -1.431 . . . . 100.0 113.644 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.8 -38.86 67.28 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.191 1.927 . . . . 100.0 111.276 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -64.07 -40.52 96.44 Favored 'General case' 0 N--CA 1.432 -1.355 0 O-C-N 124.625 1.203 . . . . 100.0 111.833 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.81 -44.23 96.7 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 122.89 0.476 . . . . 100.0 110.156 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -40.32 90.03 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 113.289 0.848 . . . . 100.0 113.289 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.74 128.62 36.98 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 113.001 0.741 . . . . 100.0 113.001 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -66.87 -45.41 78.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.158 1.383 . . . . 100.0 109.32 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -118.74 131.53 56.13 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 106.652 -1.61 . . . . 100.0 106.652 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.46 12.44 58.31 Favored Glycine 0 N--CA 1.435 -1.369 0 CA-C-O 118.235 -1.314 . . . . 100.0 113.705 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.41 -46.35 90.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.871 1.335 . . . . 100.0 113.429 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.76 -46.21 72.72 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 118.023 0.374 . . . . 100.0 111.441 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.85 60.06 3.81 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.786 1.032 . . . . 100.0 113.786 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.59 153.62 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 105.84 -1.911 . . . . 100.0 105.84 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.85 156.3 36.6 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.919 -1.141 . . . . 100.0 107.919 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -60.04 -44.36 96.44 Favored Pre-proline 0 C--N 1.353 0.735 0 N-CA-C 117.232 2.308 . . . . 100.0 117.232 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.61 -24.98 75.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.302 2.002 . . . . 100.0 115.87 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -110.16 121.96 46.5 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 119.276 0.943 . . . . 100.0 109.295 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.69 120.32 38.96 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 122.047 0.927 . . . . 100.0 108.556 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.35 -41.62 98.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.602 1.561 . . . . 100.0 111.594 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.5 mtp -61.38 -45.69 93.32 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.485 0.714 . . . . 100.0 112.488 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -66.34 -40.24 89.73 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 115.56 1.689 . . . . 100.0 115.56 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.48 121.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 108.246 -1.02 . . . . 100.0 108.246 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.84 -42.8 95.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 C-N-CA 125.237 1.415 . . . . 100.0 110.213 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -78.14 148.95 33.91 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-O 121.1 0.476 . . . . 100.0 111.258 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 54.1 42.04 31.75 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.877 1.671 . . . . 100.0 113.392 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -80.25 132.2 35.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 104.421 -2.437 . . . . 100.0 104.421 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--O 1.258 1.509 0 CA-C-O 117.523 -1.227 . . . . 100.0 107.762 179.774 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 108.961 -1.655 . . . . 100.0 108.961 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.12 167.04 20.88 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.36 -0.978 . . . . 100.0 108.36 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 105.97 -1.863 . . . . 100.0 105.97 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.53 157.98 44.43 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 105.829 -1.915 . . . . 100.0 105.829 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.35 139.08 58.73 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.648 -0.705 . . . . 100.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.849 1.66 . . . . 100.0 113.441 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.6 p 50.02 48.85 21.36 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.656 1.983 . . . . 100.0 113.742 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.37 132.33 44.69 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.356 -0.979 . . . . 100.0 108.356 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.75 -0.02 57.52 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.795 1.238 . . . . 100.0 111.709 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.29 25.24 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.666 2.386 . . . . 100.0 113.204 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.72 26.26 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.476 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.12 52.95 12.7 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 115.823 1.786 . . . . 100.0 115.823 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.811 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.15 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-O 122.152 0.977 . . . . 100.0 112.076 -179.455 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.0 m -166.39 177.63 6.65 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 127.303 2.241 . . . . 100.0 108.02 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.91 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.064 -1.828 . . . . 100.0 106.064 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.14 -174.16 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.864 1.266 . . . . 100.0 107.992 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.68 -43.26 97.91 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 120.317 3.451 . . . . 100.0 120.317 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.32 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 118.091 2.626 . . . . 100.0 118.091 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.8 p -71.94 167.68 19.58 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.779 2.032 . . . . 100.0 112.171 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.35 -39.15 86.12 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.509 1.124 . . . . 100.0 109.757 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.59 -39.22 90.43 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.611 1.565 . . . . 100.0 109.376 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.19 8.92 35.88 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.078 1.351 . . . . 100.0 112.493 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m -58.63 -44.94 99.62 Favored Pre-proline 0 C--N 1.371 1.542 0 CA-C-O 116.141 -1.885 . . . . 100.0 114.181 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.55 -35.48 89.95 Favored 'Trans proline' 0 C--N 1.378 2.096 0 CA-C-N 122.744 2.016 . . . . 100.0 112.174 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -39.38 90.63 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.183 1.393 . . . . 100.0 110.908 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.34 -9.96 57.64 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.531 1.532 . . . . 100.0 111.063 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.22 14.23 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.861 2.065 . . . . 100.0 107.952 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.42 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.437 0 CA-C-N 114.207 -1.361 . . . . 100.0 110.951 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.19 -45.37 93.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.647 0.779 . . . . 100.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.0 -38.77 92.05 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 128.312 2.645 . . . . 100.0 113.429 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.253 88.2 m-85 72.12 11.49 6.0 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.971 2.108 . . . . 100.0 114.516 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -118.29 127.34 53.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 101.649 -3.463 . . . . 100.0 101.649 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -82.89 122.08 27.78 Favored 'General case' 0 CA--C 1.492 -1.255 0 CA-C-O 121.123 0.487 . . . . 100.0 111.286 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.77 98.27 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 126.264 1.888 . . . . 100.0 112.821 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -70.98 160.75 32.32 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.187 1.395 . . . . 100.0 109.635 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 66.64 77.23 0.28 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 106.041 -1.837 . . . . 100.0 106.041 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -61.45 -46.26 90.83 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.25 1.02 . . . . 100.0 111.106 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.92 99.9 12.16 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 106.614 -1.624 . . . . 100.0 106.614 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -108.95 117.67 34.81 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 105.962 -1.866 . . . . 100.0 105.962 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.99 -39.95 83.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.599 -1.182 . . . . 100.0 108.935 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.34 -45.6 93.76 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.218 1.407 . . . . 100.0 112.06 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.31 148.45 25.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 121.612 0.72 . . . . 100.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.01 125.09 39.44 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.953 -1.021 . . . . 100.0 108.63 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.252 40.4 m0 52.79 39.11 28.19 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.97 1.841 . . . . 100.0 115.97 179.701 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.406 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 59.3 t80 -63.69 -48.27 80.4 Favored Pre-proline 0 N--CA 1.441 -0.922 0 CA-C-O 117.29 -1.338 . . . . 100.0 111.077 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 32.1 Cg_endo -61.77 -37.87 64.33 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.117 1.878 . . . . 100.0 112.127 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.9 mp0 -63.22 -41.15 99.08 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.198 0.936 . . . . 100.0 111.724 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.0 -43.75 97.93 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.265 0.353 . . . . 100.0 110.484 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -42.34 96.82 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.762 0.825 . . . . 100.0 112.517 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.51 128.23 35.43 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.827 1.047 . . . . 100.0 113.827 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.8 m -66.76 -44.12 82.29 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.059 1.344 . . . . 100.0 108.42 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -117.02 130.14 56.48 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 107.67 -1.233 . . . . 100.0 107.67 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.29 11.62 60.08 Favored Glycine 0 N--CA 1.436 -1.342 0 CA-C-O 118.16 -1.356 . . . . 100.0 114.869 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 57' ' ' VAL . 68.6 mm-40 -60.52 -44.04 96.46 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 115.487 1.662 . . . . 100.0 115.487 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -66.41 -46.41 76.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 118.419 0.554 . . . . 100.0 110.777 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -92.07 61.4 3.99 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.562 0.949 . . . . 100.0 113.562 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.4 p -145.88 156.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 107.366 -1.346 . . . . 100.0 107.366 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -73.04 153.49 40.85 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.116 -1.438 . . . . 100.0 107.116 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -61.01 -43.71 92.04 Favored Pre-proline 0 C--N 1.354 0.773 0 N-CA-C 115.712 1.745 . . . . 100.0 115.712 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.95 -31.14 91.15 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.294 1.996 . . . . 100.0 115.544 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -109.72 126.19 53.45 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-N 119.001 0.818 . . . . 100.0 111.476 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.4 mt -113.55 120.85 42.4 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 107.328 -1.36 . . . . 100.0 107.328 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.44 -42.34 99.39 Favored 'General case' 0 CA--C 1.495 -1.169 0 C-N-CA 125.23 1.412 . . . . 100.0 112.934 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.4 mtm -63.44 -42.22 98.67 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 112.345 0.498 . . . . 100.0 112.345 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.26 -42.57 96.4 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 114.428 1.27 . . . . 100.0 114.428 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.06 123.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 108.903 -0.777 . . . . 100.0 108.903 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -42.21 94.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.955 1.302 . . . . 100.0 109.792 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.9 144.12 49.1 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.017 0.927 . . . . 100.0 111.031 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.09 41.24 32.1 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.011 1.724 . . . . 100.0 113.966 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.2 m -81.73 131.03 35.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--O 1.257 1.489 0 N-CA-C 107.389 -1.338 . . . . 100.0 107.389 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 108.988 -1.645 . . . . 100.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.02 166.99 21.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.393 -0.966 . . . . 100.0 108.393 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.13 73.74 10.05 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.99 44.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.77 -1.937 . . . . 100.0 105.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.37 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.92 33.9 23.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.808 1.643 . . . . 100.0 113.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 63.0 p 49.97 48.86 21.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.677 1.991 . . . . 100.0 113.76 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.35 132.34 44.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.362 -0.977 . . . . 100.0 108.362 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.71 -0.13 57.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.844 1.258 . . . . 100.0 111.687 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.763 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.22 25.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.666 2.386 . . . . 100.0 113.218 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.66 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.51 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.13 52.97 12.67 Favored 'General case' 0 C--N 1.361 1.101 0 N-CA-C 115.83 1.789 . . . . 100.0 115.83 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-O 122.113 0.958 . . . . 100.0 112.133 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.8 m -166.3 177.63 6.71 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 127.208 2.203 . . . . 100.0 107.967 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.91 99.71 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.107 -1.812 . . . . 100.0 106.107 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.21 -174.2 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.875 1.27 . . . . 100.0 107.959 177.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.27 97.78 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 120.276 3.436 . . . . 100.0 120.276 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.641 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 118.005 2.594 . . . . 100.0 118.005 -176.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -72.0 167.67 19.66 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.739 2.016 . . . . 100.0 112.169 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.31 -39.21 86.2 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 124.508 1.123 . . . . 100.0 109.77 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.12 90.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.574 1.549 . . . . 100.0 109.401 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.29 8.94 36.01 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 125.104 1.361 . . . . 100.0 112.463 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.62 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.15 -1.881 . . . . 100.0 114.155 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -60.56 -35.44 90.09 Favored 'Trans proline' 0 C--N 1.378 2.124 0 CA-C-N 122.704 2.001 . . . . 100.0 112.208 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.89 -39.34 90.55 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.183 1.393 . . . . 100.0 110.911 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.38 -9.93 57.64 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.555 1.542 . . . . 100.0 111.028 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.5 m 61.78 39.26 14.2 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.899 2.079 . . . . 100.0 107.921 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.42 95.68 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 114.259 -1.337 . . . . 100.0 110.914 179.109 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -48.0 82.17 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 123.609 0.764 . . . . 100.0 109.755 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -64.2 -38.88 92.64 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 126.044 1.737 . . . . 100.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 70.9 10.99 7.07 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.496 1.919 . . . . 100.0 112.716 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.495 HH21 ' HD1' ' A' ' 45' ' ' TYR . 72.7 mtp85 -114.99 122.97 47.88 Favored 'General case' 0 CA--C 1.495 -1.139 1 N-CA-C 98.23 -4.73 . . . . 100.0 98.23 177.473 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -81.81 128.15 33.71 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 116.085 -0.507 . . . . 100.0 109.697 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.79 99.65 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.088 1.328 . . . . 100.0 113.007 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.365 22.8 p90 -77.28 163.55 26.38 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 112.872 0.693 . . . . 100.0 112.872 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 63.46 71.8 0.49 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 125.333 1.453 . . . . 100.0 107.825 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.06 -45.66 92.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.537 -1.665 . . . . 100.0 112.531 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.8 tp -93.49 97.52 10.59 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 104.484 -2.413 . . . . 100.0 104.484 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 41' ' ' ASP . 88.2 tttt -115.14 117.43 30.51 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.604 -1.999 . . . . 100.0 105.604 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -65.85 -37.66 86.76 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-N 114.397 -1.274 . . . . 100.0 113.704 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 82.1 m-20 -61.02 -44.78 96.91 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.321 1.048 . . . . 100.0 110.588 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -85.95 147.1 26.39 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.358 0.599 . . . . 100.0 110.162 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.84 127.38 42.76 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.398 -0.819 . . . . 100.0 111.038 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 53.85 37.48 26.55 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.626 2.37 . . . . 100.0 112.301 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HD1' HH21 ' A' ' 32' ' ' ARG . 41.4 t80 -63.65 -47.87 81.43 Favored Pre-proline 0 C--N 1.359 1.007 0 CA-C-O 117.215 -1.374 . . . . 100.0 113.724 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.17 -36.67 68.0 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.913 1.742 . . . . 100.0 111.776 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -64.52 -39.8 94.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.049 0.94 . . . . 100.0 111.738 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.76 -45.2 93.78 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 122.857 0.463 . . . . 100.0 109.783 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.44 -42.02 96.24 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 113.075 0.769 . . . . 100.0 113.075 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -73.48 126.84 31.14 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 122.119 0.961 . . . . 100.0 113.362 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -66.68 -43.35 84.67 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.252 1.421 . . . . 100.0 109.885 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -113.9 128.68 56.5 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 106.813 -1.551 . . . . 100.0 106.813 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.01 10.4 56.99 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 118.521 -1.155 . . . . 100.0 113.995 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 57' ' ' VAL . 86.8 tt0 -60.55 -46.35 90.53 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.658 1.229 . . . . 100.0 112.97 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.27 -47.85 72.34 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 122.827 0.451 . . . . 100.0 111.395 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -92.82 64.36 4.02 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 113.669 0.988 . . . . 100.0 113.669 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.9 p -148.29 155.77 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 106.981 -1.489 . . . . 100.0 106.981 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -72.03 152.76 42.19 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.437 1.495 . . . . 100.0 107.166 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.24 -44.57 93.84 Favored Pre-proline 0 C--N 1.353 0.724 0 CA-C-O 116.927 -1.511 . . . . 100.0 115.046 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.49 -23.5 64.53 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.458 2.105 . . . . 100.0 115.747 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -108.26 120.22 41.74 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 119.303 0.956 . . . . 100.0 108.592 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.85 119.43 35.38 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.938 0.875 . . . . 100.0 108.735 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.7 m-20 -62.95 -41.75 99.6 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 125.432 1.493 . . . . 100.0 111.827 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.09 -44.67 96.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.108 0.963 . . . . 100.0 111.768 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.92 -42.65 94.51 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 115.248 1.573 . . . . 100.0 115.248 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.61 123.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.01 -43.99 97.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 C-N-CA 125.238 1.415 . . . . 100.0 109.824 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.03 146.88 41.19 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 121.213 0.53 . . . . 100.0 112.121 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 54.01 42.35 31.68 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.144 1.778 . . . . 100.0 113.71 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 63' ' ' ASP . 45.1 m -81.95 130.89 35.21 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 105.436 -2.061 . . . . 100.0 105.436 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--O 1.258 1.501 0 CA-C-O 117.246 -1.359 . . . . 100.0 108.95 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 108.977 -1.649 . . . . 100.0 108.977 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 166.97 21.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.37 -0.974 . . . . 100.0 108.37 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.984 -1.858 . . . . 100.0 105.984 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.59 157.97 44.43 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 105.806 -1.924 . . . . 100.0 105.806 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.418 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.31 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.625 -0.716 . . . . 100.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.841 1.656 . . . . 100.0 113.424 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.2 p 49.99 48.88 21.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.644 1.977 . . . . 100.0 113.716 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.743 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.6 m -71.4 132.36 44.7 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.347 -0.983 . . . . 100.0 108.347 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.69 -0.15 57.54 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.871 1.268 . . . . 100.0 111.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.743 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.51 36.26 25.14 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.708 2.403 . . . . 100.0 113.17 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.68 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.33 -0.85 . . . . 100.0 110.496 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.96 12.67 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 115.807 1.78 . . . . 100.0 115.807 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.793 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.15 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 CA-C-O 122.092 0.949 . . . . 100.0 112.117 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.3 m -166.36 177.62 6.68 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 127.28 2.232 . . . . 100.0 107.965 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.065 -1.828 . . . . 100.0 106.065 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.16 -174.17 3.47 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 124.84 1.256 . . . . 100.0 108.017 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -60.71 -43.22 98.1 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.284 3.439 . . . . 100.0 120.284 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.642 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 118.073 2.62 . . . . 100.0 118.073 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.404 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.1 p -71.95 167.66 19.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.804 2.042 . . . . 100.0 112.158 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.34 -39.19 86.21 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.519 1.128 . . . . 100.0 109.755 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.19 90.26 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.627 1.571 . . . . 100.0 109.378 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.27 9.0 35.75 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.08 1.352 . . . . 100.0 112.446 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.69 -44.99 99.65 Favored Pre-proline 0 C--N 1.371 1.539 0 CA-C-O 116.109 -1.901 . . . . 100.0 114.12 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.48 -35.52 90.13 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-N 122.771 2.025 . . . . 100.0 112.202 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.255 1.422 . . . . 100.0 110.886 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.587 1.555 . . . . 100.0 111.037 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.19 14.27 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.837 2.055 . . . . 100.0 107.947 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.41 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 114.269 -1.332 . . . . 100.0 110.955 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.17 -47.3 85.14 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.609 0.764 . . . . 100.0 109.708 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.32 -38.08 84.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.81 1.244 . . . . 100.0 114.235 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.28 77.9 m-85 68.54 16.98 9.09 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.024 1.73 . . . . 100.0 112.441 -175.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -116.67 123.0 46.19 Favored 'General case' 0 N--CA 1.434 -1.274 1 N-CA-C 100.113 -4.032 . . . . 100.0 100.113 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.57 126.71 34.09 Favored 'General case' 0 CA--C 1.483 -1.603 0 C-N-CA 119.094 -1.042 . . . . 100.0 112.634 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -40.45 99.03 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.382 -1.736 . . . . 100.0 111.55 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -73.26 163.6 27.87 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.126 0.97 . . . . 100.0 112.192 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.8 t80 60.97 69.85 0.65 Allowed 'General case' 0 C--N 1.361 1.079 0 N-CA-C 105.784 -1.932 . . . . 100.0 105.784 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -43.51 93.27 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 113.478 -1.692 . . . . 100.0 112.025 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.57 79.88 9.29 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.154 0.502 . . . . 100.0 109.773 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -94.55 110.31 22.13 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 104.582 -2.377 . . . . 100.0 104.582 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -66.67 -39.2 88.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.959 -1.019 . . . . 100.0 113.053 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.82 -43.65 98.24 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.959 0.904 . . . . 100.0 110.832 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -77.44 145.81 36.9 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.868 0.867 . . . . 100.0 108.888 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -101.41 124.91 47.85 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 107.811 -1.181 . . . . 100.0 107.811 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.312 44.0 m0 53.32 40.42 31.29 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 127.125 2.17 . . . . 100.0 116.199 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.88 -46.15 81.37 Favored Pre-proline 0 C--N 1.36 1.033 0 CA-C-O 117.361 -1.304 . . . . 100.0 110.15 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.87 -39.14 64.32 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.55 2.166 . . . . 100.0 111.385 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.6 mp0 -63.33 -41.15 98.88 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 124.327 1.017 . . . . 100.0 111.853 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.29 -43.96 96.42 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 123.249 0.343 . . . . 100.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -40.04 88.81 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.931 1.086 . . . . 100.0 113.931 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.07 128.59 37.11 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 123.418 0.687 . . . . 100.0 111.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.5 m -66.41 -44.05 84.06 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.723 1.209 . . . . 100.0 109.928 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -121.65 133.17 54.97 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.485 -1.672 . . . . 100.0 106.485 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.9 13.81 57.52 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-O 117.567 -1.685 . . . . 100.0 116.422 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.5 tt0 -60.8 -44.18 97.19 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.919 1.86 . . . . 100.0 113.417 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.04 -47.15 78.38 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.114 0.416 . . . . 100.0 111.328 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -92.22 61.48 3.92 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 112.379 0.511 . . . . 100.0 112.379 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.3 p -144.15 154.99 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 106.584 -1.636 . . . . 100.0 106.584 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -73.04 151.98 41.48 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.149 -1.797 . . . . 100.0 106.149 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -61.54 -43.84 90.04 Favored Pre-proline 0 C--N 1.354 0.799 0 N-CA-C 115.784 1.772 . . . . 100.0 115.784 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -61.54 -30.38 86.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.431 2.087 . . . . 100.0 115.817 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -113.21 126.24 55.21 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 119.369 0.986 . . . . 100.0 111.176 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.59 123.61 50.37 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 108.418 -0.956 . . . . 100.0 108.418 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.59 -40.04 95.63 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 125.479 1.511 . . . . 100.0 111.918 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 72.7 mtm -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.552 0.741 . . . . 100.0 110.963 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.91 -43.09 93.96 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 115.074 1.509 . . . . 100.0 115.074 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -108.69 122.74 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 N-CA-C 108.437 -0.949 . . . . 100.0 108.437 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.15 -41.17 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 125.093 1.357 . . . . 100.0 108.562 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.07 142.85 47.61 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.718 0.807 . . . . 100.0 110.886 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 53.82 42.22 31.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.521 1.528 . . . . 100.0 113.982 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -76.16 131.84 39.62 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.147 -2.538 . . . . 100.0 104.147 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--O 1.258 1.534 0 N-CA-C 107.23 -1.396 . . . . 100.0 107.23 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 109.011 -1.636 . . . . 100.0 109.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -80.08 166.98 20.98 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.358 -0.978 . . . . 100.0 108.358 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 m -83.1 73.72 10.05 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 105.977 -1.86 . . . . 100.0 105.977 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.98 44.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 105.814 -1.921 . . . . 100.0 105.814 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.29 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.692 -0.686 . . . . 100.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.93 23.34 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.835 1.654 . . . . 100.0 113.414 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.1 p 49.99 48.84 21.34 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.629 1.972 . . . . 100.0 113.76 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.752 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.01 57.52 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.803 1.241 . . . . 100.0 111.72 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.752 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.36 36.28 25.38 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.665 2.386 . . . . 100.0 113.26 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.66 26.22 8.85 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.266 -0.879 . . . . 100.0 110.457 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.94 12.72 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 115.856 1.799 . . . . 100.0 115.856 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.834 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.12 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-O 122.143 0.973 . . . . 100.0 112.118 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.9 m -166.34 177.58 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.244 2.218 . . . . 100.0 107.942 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.99 99.77 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 106.093 -1.818 . . . . 100.0 106.093 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.13 -174.22 3.49 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.894 1.278 . . . . 100.0 108.025 177.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.66 -43.23 97.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 120.298 3.444 . . . . 100.0 120.298 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.37 -178.7 6.99 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 118.043 2.609 . . . . 100.0 118.043 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.4 p -71.92 167.63 19.67 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.815 2.046 . . . . 100.0 112.136 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.23 86.13 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.513 1.125 . . . . 100.0 109.785 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.58 -39.13 90.08 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.561 1.544 . . . . 100.0 109.384 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.23 8.93 35.95 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.122 1.369 . . . . 100.0 112.433 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.73 -44.9 99.54 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.131 -1.89 . . . . 100.0 114.15 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.6 -35.4 89.99 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 122.729 2.01 . . . . 100.0 112.218 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.86 -39.4 90.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.233 1.413 . . . . 100.0 110.882 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.41 -9.91 57.64 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.57 1.548 . . . . 100.0 111.023 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.81 39.18 14.18 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.851 2.06 . . . . 100.0 107.934 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.44 -40.37 95.6 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.27 -1.332 . . . . 100.0 110.946 179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.14 -45.67 92.39 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 123.606 0.762 . . . . 100.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -65.2 -39.26 92.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.096 2.158 . . . . 100.0 114.222 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 72.71 9.59 5.58 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.645 1.978 . . . . 100.0 113.858 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -113.83 124.85 53.24 Favored 'General case' 0 N--CA 1.439 -1.0 1 N-CA-C 99.874 -4.121 . . . . 100.0 99.874 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -96.94 120.25 36.93 Favored 'General case' 0 CA--C 1.495 -1.163 0 C-N-CA 117.77 -1.572 . . . . 100.0 109.457 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.52 -39.98 98.24 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 125.874 1.702 . . . . 100.0 113.512 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -73.1 164.35 26.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 126.684 1.993 . . . . 100.0 110.127 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 60.73 71.65 0.56 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 124.716 1.206 . . . . 100.0 107.751 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.46 -44.97 92.88 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.699 -1.591 . . . . 100.0 110.516 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.9 mt -88.43 90.11 8.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.765 -0.828 . . . . 100.0 108.765 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -103.93 115.0 29.66 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 103.984 -2.599 . . . . 100.0 103.984 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -66.14 -38.91 89.3 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.094 -1.412 . . . . 100.0 112.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -62.09 -43.79 98.08 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.09 0.956 . . . . 100.0 110.979 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -81.64 146.66 29.95 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.189 0.518 . . . . 100.0 110.549 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.7 124.18 41.92 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.952 -0.759 . . . . 100.0 108.952 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.4 m0 52.93 41.33 31.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.287 2.235 . . . . 100.0 112.91 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 41.6 t80 -62.89 -46.83 87.73 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 117.188 -1.387 . . . . 100.0 111.553 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 44.8 Cg_endo -61.71 -37.13 70.6 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 122.228 1.952 . . . . 100.0 111.849 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.2 -39.28 92.59 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 124.299 0.999 . . . . 100.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.77 -44.97 95.83 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 124.121 0.968 . . . . 100.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.6 -42.1 92.05 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.054 0.942 . . . . 100.0 113.154 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.22 130.62 41.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 114.077 1.14 . . . . 100.0 114.077 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -65.62 -44.17 87.34 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.378 1.471 . . . . 100.0 109.617 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.83 128.51 56.44 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 108.114 -1.069 . . . . 100.0 108.114 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.47 58.19 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 118.945 -0.919 . . . . 100.0 112.5 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 57' ' ' VAL . 96.7 mt-10 -59.94 -46.76 88.36 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.308 1.443 . . . . 100.0 112.652 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.61 -46.79 68.34 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 122.276 0.231 . . . . 100.0 111.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -91.75 62.78 4.48 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.358 0.599 . . . . 100.0 112.077 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.9 p -145.59 154.8 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 106.832 -1.544 . . . . 100.0 106.832 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -71.63 149.24 45.78 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.626 -1.99 . . . . 100.0 105.626 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -61.49 -42.72 85.94 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.942 -1.504 . . . . 100.0 114.574 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -60.49 -32.21 93.4 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.256 1.971 . . . . 100.0 115.617 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -108.15 126.25 52.56 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 119.206 0.912 . . . . 100.0 110.793 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.2 mt -113.19 117.69 32.61 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 106.797 -1.557 . . . . 100.0 106.797 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.8 m-20 -63.02 -41.32 99.52 Favored 'General case' 0 CA--C 1.494 -1.184 0 C-N-CA 125.789 1.636 . . . . 100.0 112.727 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.1 mmt -63.17 -43.95 96.83 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 112.333 0.494 . . . . 100.0 112.333 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.14 -41.08 90.93 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 115.11 1.522 . . . . 100.0 115.11 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.29 122.1 58.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 N-CA-C 108.585 -0.894 . . . . 100.0 108.585 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.22 -42.85 96.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 125.155 1.382 . . . . 100.0 110.24 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -74.18 143.67 45.13 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 112.6 0.593 . . . . 100.0 112.6 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 52.95 41.87 32.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 126.672 1.989 . . . . 100.0 113.454 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 63' ' ' ASP . 22.5 m -81.21 131.4 35.29 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.23 -2.137 . . . . 100.0 105.23 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.259 1.562 0 CA-C-O 117.567 -1.206 . . . . 100.0 108.111 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.003 -1.639 . . . . 100.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.01 167.01 20.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.383 -0.969 . . . . 100.0 108.383 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.14 73.7 10.06 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 105.99 -1.855 . . . . 100.0 105.99 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.97 44.42 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 105.794 -1.928 . . . . 100.0 105.794 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.419 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.34 139.11 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.649 -0.705 . . . . 100.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.813 1.645 . . . . 100.0 113.415 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.254 64.9 p 49.98 48.92 21.21 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.723 2.009 . . . . 100.0 113.687 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.762 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.38 132.34 44.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.378 -0.971 . . . . 100.0 108.378 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.04 57.52 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.827 1.251 . . . . 100.0 111.757 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.762 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.42 36.25 25.28 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 127.675 2.39 . . . . 100.0 113.223 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.62 26.24 8.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 115.273 -0.876 . . . . 100.0 110.472 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.89 12.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 115.842 1.793 . . . . 100.0 115.842 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.03 120.05 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 122.121 0.962 . . . . 100.0 112.111 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 23' ' ' CYS . 98.8 m -166.29 177.62 6.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 127.288 2.235 . . . . 100.0 108.005 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.98 99.77 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 106.084 -1.821 . . . . 100.0 106.084 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.17 3.48 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.911 1.285 . . . . 100.0 108.056 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.7 -43.18 98.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 120.354 3.464 . . . . 100.0 120.354 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.42 -178.62 6.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 118.061 2.615 . . . . 100.0 118.061 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.2 p -72.0 167.68 19.63 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.769 2.028 . . . . 100.0 112.147 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.24 -39.31 86.28 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 124.58 1.152 . . . . 100.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.48 -39.25 90.27 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.628 1.571 . . . . 100.0 109.385 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.87 36.05 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.138 1.375 . . . . 100.0 112.479 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.97 99.63 Favored Pre-proline 0 C--N 1.371 1.509 0 CA-C-O 116.129 -1.891 . . . . 100.0 114.094 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.62 -35.4 89.9 Favored 'Trans proline' 0 C--N 1.378 2.118 0 CA-C-N 122.763 2.022 . . . . 100.0 112.211 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.84 -39.4 90.75 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.199 1.4 . . . . 100.0 110.928 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.36 -9.91 57.56 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.555 1.542 . . . . 100.0 111.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m 61.8 39.21 14.2 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.884 2.074 . . . . 100.0 107.911 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.39 -40.38 95.68 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-N 114.248 -1.342 . . . . 100.0 110.932 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.2 -44.61 96.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.592 0.757 . . . . 100.0 109.71 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.79 -37.38 81.96 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.498 1.519 . . . . 100.0 113.835 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.299 75.4 m-85 69.9 17.95 7.4 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.19 1.796 . . . . 100.0 113.481 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 48' ' ' GLU . 78.6 mtp180 -117.65 126.47 52.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 100.98 -3.711 . . . . 100.0 100.98 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.36 119.16 23.8 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 107.734 -1.209 . . . . 100.0 107.734 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.63 99.69 Favored Glycine 0 C--N 1.355 1.626 0 C-N-CA 125.389 1.471 . . . . 100.0 114.461 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.386 30.4 p90 -77.05 163.96 26.17 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 117.231 0.516 . . . . 100.0 112.123 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 63.36 70.5 0.53 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.691 1.596 . . . . 100.0 106.844 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.9 -44.46 97.1 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 124.456 1.102 . . . . 100.0 111.668 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.1 94.65 9.86 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 106.993 -1.484 . . . . 100.0 106.993 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -104.31 114.36 28.54 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 103.498 -2.778 . . . . 100.0 103.498 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -66.16 -40.86 90.85 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 115.079 -0.964 . . . . 100.0 112.319 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.32 -42.91 99.04 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.11 0.964 . . . . 100.0 111.556 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -80.13 146.79 31.66 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 121.158 0.504 . . . . 100.0 109.731 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -101.19 127.3 47.82 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 107.705 -1.22 . . . . 100.0 107.705 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 42.5 m0 53.17 41.33 32.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.872 2.069 . . . . 100.0 113.643 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.3 -48.76 82.03 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 117.14 -1.409 . . . . 100.0 110.987 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.91 -37.8 63.29 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 121.924 1.75 . . . . 100.0 112.345 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.8 mp0 -63.28 -41.7 99.01 Favored 'General case' 0 N--CA 1.435 -1.18 0 O-C-N 124.409 1.068 . . . . 100.0 111.775 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HB2' HH22 ' A' ' 32' ' ' ARG . 95.4 mt-10 -63.54 -42.89 98.39 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 123.092 0.245 . . . . 100.0 110.56 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.25 -41.09 94.65 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 112.99 0.737 . . . . 100.0 112.99 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.5 129.95 40.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 113.937 1.088 . . . . 100.0 113.937 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -66.22 -44.14 84.66 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.188 1.395 . . . . 100.0 110.117 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -115.66 129.82 56.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.271 -1.381 . . . . 100.0 107.271 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.76 12.58 57.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 118.759 -1.023 . . . . 100.0 114.18 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.23 -46.84 88.38 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.879 1.272 . . . . 100.0 112.476 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.7 -46.0 73.49 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 123.044 0.538 . . . . 100.0 111.846 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 60.4 3.98 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 113.105 0.779 . . . . 100.0 113.105 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -147.88 153.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 106.382 -1.71 . . . . 100.0 106.382 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.96 156.45 36.29 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.326 -1.361 . . . . 100.0 107.326 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.74 -44.06 93.93 Favored Pre-proline 0 C--N 1.353 0.732 0 N-CA-C 116.129 1.9 . . . . 100.0 116.129 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -61.48 -30.54 86.8 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.379 2.053 . . . . 100.0 116.268 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.89 123.41 49.03 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-N 119.414 1.006 . . . . 100.0 110.006 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.79 121.67 43.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 122.304 1.049 . . . . 100.0 109.137 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.5 m-20 -62.92 -40.18 96.83 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.594 -1.639 . . . . 100.0 111.722 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.38 -45.05 96.0 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.227 1.011 . . . . 100.0 111.682 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.83 -42.06 91.02 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.213 1.56 . . . . 100.0 115.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.2 122.22 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 108.736 -0.839 . . . . 100.0 108.736 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.23 -42.93 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 C-N-CA 125.295 1.438 . . . . 100.0 109.575 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -73.84 146.2 44.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 123.727 0.811 . . . . 100.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 54.23 40.61 31.86 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.078 1.751 . . . . 100.0 113.704 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 63' ' ' ASP . 33.1 m -80.44 131.82 35.64 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 105.166 -2.161 . . . . 100.0 105.166 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--O 1.257 1.482 0 N-CA-C 107.525 -1.287 . . . . 100.0 107.525 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -80.11 166.96 20.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.343 -0.984 . . . . 100.0 108.343 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.8 m -83.08 73.73 10.04 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.963 -1.866 . . . . 100.0 105.963 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.45 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.808 -1.923 . . . . 100.0 105.808 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.414 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.27 139.05 58.73 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.665 -0.698 . . . . 100.0 111.207 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.89 23.31 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.854 1.662 . . . . 100.0 113.443 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.5 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.63 1.972 . . . . 100.0 113.748 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.756 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 108.404 -0.962 . . . . 100.0 108.404 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.07 57.53 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.851 1.26 . . . . 100.0 111.687 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.756 ' H ' HG22 ' A' ' 8' ' ' THR . 72.5 mt-10 58.5 36.19 25.11 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.669 2.388 . . . . 100.0 113.22 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.6 pt20 -121.61 26.19 8.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.289 -0.868 . . . . 100.0 110.514 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.27 52.84 12.79 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 115.818 1.784 . . . . 100.0 115.818 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.805 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.14 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.172 0.987 . . . . 100.0 112.123 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.4 m -166.33 177.61 6.71 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 127.262 2.225 . . . . 100.0 107.989 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.92 99.73 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.13 -174.27 3.5 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 124.953 1.301 . . . . 100.0 108.034 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.61 -43.22 97.7 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 120.306 3.447 . . . . 100.0 120.306 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.647 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.1 mmm -84.44 -178.68 6.98 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 118.026 2.602 . . . . 100.0 118.026 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -71.92 167.69 19.54 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.773 2.029 . . . . 100.0 112.157 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.513 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.27 86.29 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.552 1.141 . . . . 100.0 109.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.5 -39.19 90.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.628 1.571 . . . . 100.0 109.384 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.25 8.89 36.16 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.081 1.352 . . . . 100.0 112.411 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.61 -45.0 99.68 Favored Pre-proline 0 C--N 1.371 1.53 0 CA-C-O 116.17 -1.872 . . . . 100.0 114.141 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -60.56 -35.43 90.1 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 122.671 1.99 . . . . 100.0 112.171 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -39.39 90.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.208 1.403 . . . . 100.0 110.884 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -70.35 -9.95 57.66 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.542 1.537 . . . . 100.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.76 39.21 14.31 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.854 2.062 . . . . 100.0 107.965 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.37 -40.44 95.85 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.226 -1.352 . . . . 100.0 110.927 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.09 -44.68 96.14 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.653 0.781 . . . . 100.0 109.729 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.81 -38.63 86.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.509 1.524 . . . . 100.0 113.484 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.252 92.5 m-85 69.28 17.07 8.34 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.657 1.983 . . . . 100.0 111.782 -175.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttm-85 -114.56 120.18 39.32 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.884 -4.117 . . . . 100.0 99.884 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -81.6 123.99 29.15 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.756 -0.461 . . . . 100.0 109.756 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.59 99.15 Favored Glycine 0 C--N 1.356 1.69 0 C-N-CA 124.612 1.101 . . . . 100.0 112.418 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.363 18.5 p90 -80.04 165.53 22.45 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.501 0.556 . . . . 100.0 112.501 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 67.4 77.39 0.26 Allowed 'General case' 0 C--N 1.361 1.088 0 N-CA-C 105.756 -1.942 . . . . 100.0 105.756 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 46' ' ' PRO . 55.3 tp -60.29 -44.78 95.06 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.574 -1.648 . . . . 100.0 111.795 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt -88.19 98.08 11.36 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 107.471 -1.307 . . . . 100.0 107.471 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.49 116.37 31.28 Favored 'General case' 0 CA--C 1.483 -1.619 0 N-CA-C 105.879 -1.897 . . . . 100.0 105.879 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.89 -40.88 83.43 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.809 -1.087 . . . . 100.0 110.685 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -62.16 -44.73 95.96 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 125.059 1.343 . . . . 100.0 112.05 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -86.72 148.0 25.62 Favored 'General case' 0 CA--C 1.493 -1.25 0 CA-C-O 121.519 0.676 . . . . 100.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -97.36 127.33 43.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 114.915 -1.038 . . . . 100.0 108.213 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 46.3 m0 53.72 39.96 30.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 126.911 2.085 . . . . 100.0 115.108 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.69 -46.34 82.64 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 117.452 -1.261 . . . . 100.0 110.642 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HA ' HD11 ' A' ' 37' ' ' LEU . 50.5 Cg_exo -60.42 -38.02 77.17 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.605 2.203 . . . . 100.0 111.545 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 53.0 mp0 -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 124.533 1.146 . . . . 100.0 111.914 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.88 -45.72 92.53 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 109.477 -0.564 . . . . 100.0 109.477 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.55 -40.16 88.91 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 114.332 1.234 . . . . 100.0 114.332 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 130.22 40.15 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 113.88 1.067 . . . . 100.0 113.88 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.9 p -64.95 -43.96 90.99 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.031 1.333 . . . . 100.0 112.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -115.53 129.65 56.61 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.499 -1.667 . . . . 100.0 106.499 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.84 9.75 56.93 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.092 -1.393 . . . . 100.0 114.814 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.9 tt0 -60.92 -45.48 94.49 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.35 1.575 . . . . 100.0 113.474 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -65.01 -48.26 74.56 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.065 0.393 . . . . 100.0 111.116 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -92.82 61.9 3.63 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 112.935 0.717 . . . . 100.0 112.935 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.0 p -139.98 155.0 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.278 -1.749 . . . . 100.0 106.278 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -71.9 149.04 45.5 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 105.34 -2.096 . . . . 100.0 105.34 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.51 -43.82 93.83 Favored Pre-proline 0 C--N 1.354 0.787 0 N-CA-C 115.497 1.666 . . . . 100.0 115.497 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -32.12 92.83 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.386 2.058 . . . . 100.0 115.618 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -110.61 128.11 55.54 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 118.904 0.775 . . . . 100.0 112.17 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.0 123.0 49.32 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 107.841 -1.17 . . . . 100.0 107.841 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.4 m-20 -62.7 -40.4 97.03 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 125.465 1.506 . . . . 100.0 112.048 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.84 -45.45 93.76 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.693 0.797 . . . . 100.0 111.291 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -66.38 -41.57 89.2 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 115.3 1.592 . . . . 100.0 115.3 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.77 123.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 CA-C-O 121.76 0.79 . . . . 100.0 108.958 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.97 -42.55 95.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 125.296 1.438 . . . . 100.0 109.294 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -72.38 143.68 48.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 124.02 0.928 . . . . 100.0 111.065 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 53.28 42.37 32.09 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 126.042 1.737 . . . . 100.0 113.766 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 63' ' ' ASP . 38.4 m -81.25 127.49 32.76 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 104.264 -2.495 . . . . 100.0 104.264 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--O 1.258 1.519 0 CA-C-O 117.288 -1.339 . . . . 100.0 108.78 -179.421 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -79.98 167.02 21.01 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.403 -0.962 . . . . 100.0 108.403 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -83.14 73.69 10.06 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.966 -1.864 . . . . 100.0 105.966 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.95 44.46 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.818 -1.919 . . . . 100.0 105.818 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.708 -0.678 . . . . 100.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.99 33.87 23.27 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.835 1.654 . . . . 100.0 113.387 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.3 p 49.99 48.9 21.25 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.7 2.0 . . . . 100.0 113.711 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.35 132.36 44.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.405 -0.961 . . . . 100.0 108.405 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.07 57.53 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.832 1.253 . . . . 100.0 111.665 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.732 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.22 25.19 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 127.642 2.377 . . . . 100.0 113.232 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.7 pt20 -121.65 26.27 8.83 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.276 -0.875 . . . . 100.0 110.495 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.1 52.89 12.84 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.874 1.805 . . . . 100.0 115.874 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.826 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.08 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 122.149 0.976 . . . . 100.0 112.181 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.1 m -166.28 177.62 6.73 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 127.254 2.222 . . . . 100.0 107.978 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.96 99.77 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 106.062 -1.829 . . . . 100.0 106.062 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 76.0 m80 -93.1 -174.23 3.5 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 124.881 1.272 . . . . 100.0 107.992 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.62 -43.23 97.72 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 120.338 3.459 . . . . 100.0 120.338 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.44 -178.59 6.95 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 118.045 2.609 . . . . 100.0 118.045 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.407 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.0 p -71.98 167.68 19.61 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.778 2.031 . . . . 100.0 112.124 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.31 -39.26 86.37 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.58 1.152 . . . . 100.0 109.722 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.53 -39.15 90.0 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.579 1.551 . . . . 100.0 109.44 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.25 8.92 36.02 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.13 1.372 . . . . 100.0 112.426 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.99 99.66 Favored Pre-proline 0 C--N 1.371 1.51 0 CA-C-O 116.132 -1.89 . . . . 100.0 114.116 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.49 -35.53 90.06 Favored 'Trans proline' 0 C--N 1.379 2.142 0 CA-C-N 122.772 2.026 . . . . 100.0 112.212 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.85 -39.38 90.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.219 1.408 . . . . 100.0 110.873 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.563 1.545 . . . . 100.0 111.053 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m 61.85 39.14 14.09 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.832 2.053 . . . . 100.0 107.972 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.38 -40.39 95.73 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.235 -1.348 . . . . 100.0 110.927 179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.18 -47.38 84.78 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 123.631 0.772 . . . . 100.0 109.7 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -65.98 -38.42 88.48 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.611 1.564 . . . . 100.0 114.162 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 71.61 11.5 6.46 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.998 2.119 . . . . 100.0 111.918 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -115.07 126.54 54.81 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 101.462 -3.533 . . . . 100.0 101.462 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -78.08 125.98 30.14 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 112.849 0.685 . . . . 100.0 112.849 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -39.75 98.08 Favored Glycine 0 C--N 1.355 1.632 0 C-N-CA 125.812 1.672 . . . . 100.0 111.648 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -68.96 152.53 45.15 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.508 1.123 . . . . 100.0 112.087 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 59.64 67.43 0.89 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.53 1.532 . . . . 100.0 110.527 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.58 -42.6 97.04 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 114.228 -1.351 . . . . 100.0 112.215 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.4 mt -85.38 86.47 7.37 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 106.456 -1.683 . . . . 100.0 106.456 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -100.12 113.4 26.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.226 -2.509 . . . . 100.0 104.226 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -66.76 -37.88 85.48 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.7 -1.136 . . . . 100.0 113.516 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.76 -45.44 94.32 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.874 0.87 . . . . 100.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -93.41 148.79 21.75 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 120.309 -0.556 . . . . 100.0 110.186 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.54 132.05 43.58 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.643 -0.708 . . . . 100.0 110.477 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.5 m95 55.75 38.37 30.0 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.627 2.371 . . . . 100.0 111.816 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -62.35 -49.52 83.58 Favored Pre-proline 0 C--N 1.358 0.953 0 CA-C-O 117.107 -1.425 . . . . 100.0 112.47 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -63.06 -37.28 53.75 Favored 'Trans proline' 0 C--N 1.38 2.222 0 CA-C-N 121.563 1.594 . . . . 100.0 112.077 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.11 -42.16 99.49 Favored 'General case' 0 CA--C 1.489 -1.378 0 O-C-N 124.303 1.002 . . . . 100.0 112.265 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.96 -42.93 97.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.389 0.43 . . . . 100.0 110.689 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.08 -41.35 95.13 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 113.113 0.782 . . . . 100.0 113.113 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.82 128.32 35.16 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 113.867 1.062 . . . . 100.0 113.867 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -65.74 -44.77 84.95 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.772 1.229 . . . . 100.0 110.52 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -117.06 130.66 56.81 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.481 -1.674 . . . . 100.0 106.481 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.73 52.83 Favored Glycine 0 N--CA 1.434 -1.462 0 CA-C-O 117.638 -1.646 . . . . 100.0 116.29 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.48 -45.68 93.22 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.966 1.883 . . . . 100.0 113.65 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -64.13 -48.76 74.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 118.202 0.455 . . . . 100.0 111.178 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -93.04 63.79 3.78 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 113.452 0.908 . . . . 100.0 113.452 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.34 153.62 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 106.223 -1.769 . . . . 100.0 106.223 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -72.54 149.88 43.67 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 105.012 -2.218 . . . . 100.0 105.012 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.21 -43.2 93.09 Favored Pre-proline 0 C--N 1.353 0.751 0 N-CA-C 117.707 2.484 . . . . 100.0 117.707 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.99 -26.56 78.73 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.208 1.939 . . . . 100.0 115.475 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -112.67 124.21 52.04 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 119.261 0.937 . . . . 100.0 110.361 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.67 119.29 36.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.113 -1.44 . . . . 100.0 107.113 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.68 -42.61 99.15 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 125.447 1.499 . . . . 100.0 113.219 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.96 -43.46 98.74 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.753 0.421 . . . . 100.0 112.124 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.86 -41.92 91.07 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 114.842 1.423 . . . . 100.0 114.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.78 125.05 65.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-O 121.711 0.767 . . . . 100.0 109.978 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.76 -41.87 93.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.845 1.658 . . . . 100.0 109.507 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.92 141.12 53.15 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.956 0.902 . . . . 100.0 111.203 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.21 42.6 32.13 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 126.199 1.8 . . . . 100.0 114.218 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -77.76 129.88 36.04 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 105.255 -2.128 . . . . 100.0 105.255 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 117.331 -1.319 . . . . 100.0 108.234 -179.271 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 108.963 -1.655 . . . . 100.0 108.963 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 167.0 20.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.5 m -83.12 73.69 10.05 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.969 -1.863 . . . . 100.0 105.969 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.96 44.44 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.782 -1.932 . . . . 100.0 105.782 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.41 139.1 58.74 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.636 -0.711 . . . . 100.0 111.196 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.88 33.95 23.36 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.839 1.656 . . . . 100.0 113.442 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.5 p 49.94 48.93 21.16 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.703 2.001 . . . . 100.0 113.722 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.4 m -71.4 132.35 44.69 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.369 -0.975 . . . . 100.0 108.369 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.08 57.53 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.83 1.252 . . . . 100.0 111.661 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.74 ' H ' HG22 ' A' ' 8' ' ' THR . 72.4 mt-10 58.41 36.25 25.29 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.716 2.406 . . . . 100.0 113.216 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.6 pt20 -121.62 26.26 8.86 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.305 -0.861 . . . . 100.0 110.511 178.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.19 52.85 12.85 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.87 1.804 . . . . 100.0 115.87 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.807 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -104.98 120.12 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 CA-C-O 122.115 0.959 . . . . 100.0 112.159 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.32 177.62 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.32 2.248 . . . . 100.0 107.989 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 106.079 -1.823 . . . . 100.0 106.079 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.06 -174.2 3.5 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.916 1.286 . . . . 100.0 108.062 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.25 97.84 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 120.318 3.451 . . . . 100.0 120.318 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.639 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.39 -178.6 6.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 118.056 2.613 . . . . 100.0 118.056 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.5 p -71.95 167.68 19.58 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.801 2.041 . . . . 100.0 112.154 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.29 -39.22 86.15 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 124.517 1.127 . . . . 100.0 109.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.16 90.17 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.62 1.568 . . . . 100.0 109.379 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.3 8.96 35.97 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.115 1.366 . . . . 100.0 112.417 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.4 m -58.69 -44.97 99.64 Favored Pre-proline 0 C--N 1.372 1.544 0 CA-C-O 116.119 -1.896 . . . . 100.0 114.157 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.5 -35.52 90.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 CA-C-N 122.728 2.01 . . . . 100.0 112.188 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.148 1.379 . . . . 100.0 110.924 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.42 -9.93 57.73 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.586 1.554 . . . . 100.0 110.999 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.19 14.21 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.865 2.066 . . . . 100.0 107.957 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.39 95.66 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 114.257 -1.338 . . . . 100.0 110.888 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.15 -45.46 93.32 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 123.654 0.782 . . . . 100.0 109.697 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -67.87 -35.44 78.54 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 124.175 0.99 . . . . 100.0 113.383 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.278 64.8 m-85 66.85 25.19 9.6 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.473 1.509 . . . . 100.0 112.203 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -122.17 124.46 43.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 101.134 -3.654 . . . . 100.0 101.134 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -79.85 116.76 20.19 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 107.107 -1.442 . . . . 100.0 107.107 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.01 -41.37 99.67 Favored Glycine 0 C--N 1.355 1.629 0 C-N-CA 125.401 1.476 . . . . 100.0 114.075 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.353 40.1 p90 -73.3 152.06 41.09 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 112.964 0.727 . . . . 100.0 112.964 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 64.08 75.46 0.38 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 126.58 1.952 . . . . 100.0 108.046 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.19 -44.46 96.55 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 124.169 0.988 . . . . 100.0 110.664 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.28 92.2 9.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 107.423 -1.325 . . . . 100.0 107.423 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.57 112.41 25.32 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 103.021 -2.955 . . . . 100.0 103.021 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -66.1 -38.77 89.06 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 124.05 0.94 . . . . 100.0 112.075 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -62.21 -44.16 97.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.536 1.134 . . . . 100.0 111.144 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -80.31 149.41 30.32 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 109.096 -0.705 . . . . 100.0 109.096 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.08 126.61 51.33 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.265 -1.383 . . . . 100.0 107.265 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.4 m0 54.81 39.42 31.41 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 126.642 1.977 . . . . 100.0 114.053 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 46.8 t80 -63.49 -48.1 82.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-O 117.367 -1.301 . . . . 100.0 110.6 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 35.1 Cg_endo -62.75 -36.01 65.23 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.1 1.867 . . . . 100.0 111.997 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.7 mp0 -63.77 -40.88 97.76 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 124.189 0.931 . . . . 100.0 111.588 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.27 -43.35 98.2 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 110.149 -0.315 . . . . 100.0 110.149 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.86 -41.87 95.33 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 113.311 0.856 . . . . 100.0 113.311 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.97 129.86 40.11 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.556 1.317 . . . . 100.0 114.556 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.1 m -65.21 -45.06 86.29 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 114.252 -1.34 . . . . 100.0 110.146 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -115.9 130.05 56.66 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 107.599 -1.26 . . . . 100.0 107.599 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.19 12.85 58.77 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-O 118.415 -1.214 . . . . 100.0 114.21 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.84 -46.46 89.18 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.72 1.26 . . . . 100.0 112.791 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -66.22 -47.71 72.96 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 123.029 0.532 . . . . 100.0 111.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -92.03 62.36 4.21 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 113.209 0.818 . . . . 100.0 113.209 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -147.14 155.69 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 107.03 -1.47 . . . . 100.0 107.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -72.85 149.71 43.3 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.237 -1.764 . . . . 100.0 106.237 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.39 -44.01 94.68 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 116.274 1.953 . . . . 100.0 116.274 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.86 -26.61 74.62 Favored 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.572 2.181 . . . . 100.0 115.076 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -109.58 123.42 49.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 119.02 0.827 . . . . 100.0 110.153 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.6 mt -114.63 119.98 38.6 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 122.149 0.976 . . . . 100.0 108.376 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.1 m-20 -62.95 -41.19 99.44 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 113.805 -1.543 . . . . 100.0 112.301 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 35.9 mmt -63.75 -41.83 97.95 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.397 0.518 . . . . 100.0 112.397 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -64.27 -43.46 94.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.893 1.071 . . . . 100.0 113.893 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.54 124.24 69.02 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 109.089 -0.708 . . . . 100.0 109.089 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.46 -41.3 91.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 125.306 1.442 . . . . 100.0 109.205 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -67.26 139.98 57.34 Favored 'General case' 0 CA--C 1.503 -0.85 0 C-N-CA 124.68 1.192 . . . . 100.0 110.665 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 53.57 42.23 31.95 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.473 1.909 . . . . 100.0 114.202 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 63' ' ' ASP . 25.1 m -81.38 129.83 34.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 105.388 -2.079 . . . . 100.0 105.388 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.548 0 CA-C-O 117.177 -1.392 . . . . 100.0 107.354 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 108.959 -1.656 . . . . 100.0 108.959 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.09 167.05 20.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.409 -0.96 . . . . 100.0 108.409 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 m -83.14 73.67 10.06 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 105.915 -1.883 . . . . 100.0 105.915 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.98 44.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.779 -1.934 . . . . 100.0 105.779 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.36 139.07 58.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.637 -0.71 . . . . 100.0 111.213 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.95 33.87 23.28 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.798 1.639 . . . . 100.0 113.413 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 65.4 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.669 1.988 . . . . 100.0 113.717 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.1 m -71.36 132.29 44.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.401 -0.962 . . . . 100.0 108.401 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.63 -0.09 57.54 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.825 1.25 . . . . 100.0 111.753 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.44 36.26 25.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 127.641 2.376 . . . . 100.0 113.223 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 13' ' ' ILE . 9.6 pt20 -121.64 26.24 8.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.248 -0.887 . . . . 100.0 110.508 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.92 12.75 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.853 1.797 . . . . 100.0 115.853 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.825 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-O 122.131 0.967 . . . . 100.0 112.133 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.5 m -166.32 177.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 127.258 2.223 . . . . 100.0 107.995 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.93 99.73 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 106.092 -1.818 . . . . 100.0 106.092 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.08 -174.19 3.49 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 124.91 1.284 . . . . 100.0 108.018 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.74 -43.18 98.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 120.343 3.46 . . . . 100.0 120.343 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.643 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 118.065 2.617 . . . . 100.0 118.065 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.7 p -71.91 167.7 19.52 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 126.847 2.059 . . . . 100.0 112.172 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.38 -39.2 86.42 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.491 1.117 . . . . 100.0 109.739 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.17 90.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.583 1.553 . . . . 100.0 109.388 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.83 36.2 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 125.133 1.373 . . . . 100.0 112.464 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m -58.63 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.514 0 CA-C-O 116.13 -1.891 . . . . 100.0 114.167 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.45 -35.53 90.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.732 2.011 . . . . 100.0 112.251 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.81 -39.34 90.8 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.194 1.398 . . . . 100.0 110.927 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.44 -9.95 57.81 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.533 1.533 . . . . 100.0 111.006 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.26 14.14 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.865 2.066 . . . . 100.0 107.949 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -40.4 95.57 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-N 114.212 -1.358 . . . . 100.0 110.878 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.04 -44.64 96.26 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.609 0.763 . . . . 100.0 109.759 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.97 -39.13 90.11 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.774 1.229 . . . . 100.0 112.181 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 71.28 11.8 6.75 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.171 2.188 . . . . 100.0 111.923 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -125.63 126.83 45.35 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 100.546 -3.872 . . . . 100.0 100.546 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -78.76 127.89 32.68 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 115.072 1.508 . . . . 100.0 115.072 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.19 -41.49 99.71 Favored Glycine 0 C--N 1.355 1.616 0 C-N-CA 125.824 1.678 . . . . 100.0 111.841 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -72.01 160.07 33.14 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.032 0.933 . . . . 100.0 112.24 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . 0.267 46.7 m-85 66.59 79.54 0.24 Allowed 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 125.979 1.712 . . . . 100.0 107.75 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.86 -45.47 94.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.14 -1.391 . . . . 100.0 111.793 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 tp -92.45 98.66 11.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 106.951 -1.5 . . . . 100.0 106.951 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.54 115.55 30.13 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 105.734 -1.951 . . . . 100.0 105.734 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -42.89 86.23 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.297 -1.319 . . . . 100.0 110.248 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.23 -44.44 95.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 C-N-CA 124.61 1.164 . . . . 100.0 112.855 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.71 146.42 27.43 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 121.488 0.661 . . . . 100.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.5 128.33 43.33 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.989 -1.005 . . . . 100.0 111.065 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.9 m0 52.48 39.3 27.51 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.581 2.352 . . . . 100.0 114.519 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -64.1 -48.85 76.49 Favored Pre-proline 0 N--CA 1.437 -1.082 0 CA-C-O 117.209 -1.376 . . . . 100.0 111.687 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.43 -34.87 75.08 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 121.86 1.706 . . . . 100.0 111.373 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.1 mp0 -63.38 -40.07 96.25 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 124.164 0.915 . . . . 100.0 111.702 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.47 -43.32 97.65 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 110.095 -0.335 . . . . 100.0 110.095 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.19 -39.68 89.87 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 113.679 0.992 . . . . 100.0 113.679 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.91 129.19 38.41 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.504 0.927 . . . . 100.0 113.504 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -67.89 -42.52 81.09 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.302 1.041 . . . . 100.0 109.401 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.07 128.76 55.47 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.325 -1.361 . . . . 100.0 107.325 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.48 15.28 56.16 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.031 -1.427 . . . . 100.0 115.638 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.307 1.554 . . . . 100.0 112.951 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.97 -47.16 75.52 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 112.261 0.467 . . . . 100.0 112.261 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -91.48 60.85 4.2 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 113.095 0.776 . . . . 100.0 113.095 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -145.76 155.26 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 N-CA-C 107.027 -1.471 . . . . 100.0 107.027 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -73.75 153.91 39.81 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 107.734 -1.21 . . . . 100.0 107.734 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.27 -44.56 96.44 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 115.536 1.68 . . . . 100.0 115.536 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.45 -26.28 76.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.015 1.81 . . . . 100.0 115.797 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -111.07 123.99 51.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 118.865 0.757 . . . . 100.0 110.368 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -114.76 119.92 38.3 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.616 -1.253 . . . . 100.0 107.616 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.33 -41.03 98.23 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 125.585 1.554 . . . . 100.0 111.873 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.42 -45.06 95.89 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.493 1.117 . . . . 100.0 111.928 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.74 -42.38 86.31 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 115.609 1.707 . . . . 100.0 115.609 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -107.66 125.0 64.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 119.938 -0.705 . . . . 100.0 109.652 -176.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.01 -43.73 97.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 125.732 1.613 . . . . 100.0 109.987 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.71 146.92 39.77 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 123.136 0.574 . . . . 100.0 111.315 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 55.17 39.99 31.61 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.063 1.745 . . . . 100.0 113.48 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.4 m -79.26 132.54 36.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.614 -1.995 . . . . 100.0 105.614 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 69.1 mt-30 . . . . . 0 C--O 1.257 1.488 0 N-CA-C 107.585 -1.265 . . . . 100.0 107.585 179.791 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.015 -1.634 . . . . 100.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.03 166.99 21.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.366 -0.976 . . . . 100.0 108.366 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.11 73.7 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.944 -1.872 . . . . 100.0 105.944 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.58 157.94 44.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.809 -1.922 . . . . 100.0 105.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.05 58.73 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.195 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.83 23.26 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.781 1.632 . . . . 100.0 113.459 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.8 p 50.02 48.92 21.25 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.694 1.998 . . . . 100.0 113.692 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.748 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.43 132.32 44.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.369 -0.974 . . . . 100.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.67 -0.11 57.54 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 100.0 111.735 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.25 25.12 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.713 2.405 . . . . 100.0 113.168 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.18 8.89 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.3 -0.864 . . . . 100.0 110.504 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.25 52.83 12.83 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 115.855 1.798 . . . . 100.0 115.855 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.1 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.157 0.98 . . . . 100.0 112.127 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 100.0 m -166.32 177.62 6.7 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 127.235 2.214 . . . . 100.0 107.951 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.94 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.108 -1.812 . . . . 100.0 106.108 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.12 -174.23 3.5 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 124.889 1.275 . . . . 100.0 108.021 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.66 -43.24 97.85 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.316 3.451 . . . . 100.0 120.316 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.645 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.35 -178.65 6.98 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 118.078 2.621 . . . . 100.0 118.078 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.6 p -71.96 167.68 19.59 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.785 2.034 . . . . 100.0 112.107 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.9 m-85 -60.31 -39.22 86.2 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.553 1.141 . . . . 100.0 109.764 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.57 -39.17 90.19 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.588 1.555 . . . . 100.0 109.38 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.24 8.95 35.88 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.102 1.361 . . . . 100.0 112.452 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.2 m -58.72 -44.93 99.58 Favored Pre-proline 0 C--N 1.371 1.54 0 CA-C-O 116.089 -1.91 . . . . 100.0 114.138 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.54 -35.46 90.11 Favored 'Trans proline' 0 C--N 1.378 2.115 0 CA-C-N 122.742 2.015 . . . . 100.0 112.221 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.83 -39.34 90.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.168 1.387 . . . . 100.0 110.968 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.36 -9.93 57.62 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.557 1.543 . . . . 100.0 111.046 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.75 39.24 14.32 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.89 2.076 . . . . 100.0 107.968 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.38 95.65 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.214 -1.357 . . . . 100.0 110.959 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.1 -46.13 90.4 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.563 0.745 . . . . 100.0 109.791 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.68 -38.45 86.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.194 1.183 . . . . 100.0 114.194 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.272 78.2 m-85 68.08 18.95 9.37 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.351 1.86 . . . . 100.0 111.688 -174.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -118.98 125.51 49.57 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.51 126.58 30.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.227 0.537 . . . . 100.0 110.995 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.581 0 C-N-CA 125.454 1.502 . . . . 100.0 114.089 -179.303 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.477 -1.846 0 N-CA-C 105.254 -2.128 . . . . 100.0 105.254 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -70.03 -40.8 74.98 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 113.862 -1.517 . . . . 100.0 109.363 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -63.13 -45.4 92.16 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 125.053 1.341 . . . . 100.0 111.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -83.68 149.13 26.7 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.665 0.745 . . . . 100.0 111.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -93.29 125.36 37.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.554 -1.203 . . . . 100.0 112.746 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 m95 52.17 40.38 28.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.42 2.288 . . . . 100.0 112.606 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.63 -47.37 88.26 Favored Pre-proline 0 N--CA 1.439 -0.983 0 CA-C-O 117.094 -1.431 . . . . 100.0 113.644 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.8 -38.86 67.28 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.191 1.927 . . . . 100.0 111.276 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -64.07 -40.52 96.44 Favored 'General case' 0 N--CA 1.432 -1.355 0 O-C-N 124.625 1.203 . . . . 100.0 111.833 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.81 -44.23 96.7 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 122.89 0.476 . . . . 100.0 110.156 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -40.32 90.03 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 113.289 0.848 . . . . 100.0 113.289 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.74 128.62 36.98 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 113.001 0.741 . . . . 100.0 113.001 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -66.87 -45.41 78.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.158 1.383 . . . . 100.0 109.32 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -118.74 131.53 56.13 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 106.652 -1.61 . . . . 100.0 106.652 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.46 12.44 58.31 Favored Glycine 0 N--CA 1.435 -1.369 0 CA-C-O 118.235 -1.314 . . . . 100.0 113.705 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.41 -46.35 90.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.871 1.335 . . . . 100.0 113.429 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.76 -46.21 72.72 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 118.023 0.374 . . . . 100.0 111.441 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.85 60.06 3.81 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.786 1.032 . . . . 100.0 113.786 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.59 153.62 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 105.84 -1.911 . . . . 100.0 105.84 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.85 156.3 36.6 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.919 -1.141 . . . . 100.0 107.919 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -60.04 -44.36 96.44 Favored Pre-proline 0 C--N 1.353 0.735 0 N-CA-C 117.232 2.308 . . . . 100.0 117.232 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.61 -24.98 75.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.302 2.002 . . . . 100.0 115.87 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -110.16 121.96 46.5 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 119.276 0.943 . . . . 100.0 109.295 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.69 120.32 38.96 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 122.047 0.927 . . . . 100.0 108.556 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.35 -41.62 98.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.602 1.561 . . . . 100.0 111.594 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.5 mtp -61.38 -45.69 93.32 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.485 0.714 . . . . 100.0 112.488 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -66.34 -40.24 89.73 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 115.56 1.689 . . . . 100.0 115.56 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.48 121.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 108.246 -1.02 . . . . 100.0 108.246 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.84 -42.8 95.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 C-N-CA 125.237 1.415 . . . . 100.0 110.213 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -78.14 148.95 33.91 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-O 121.1 0.476 . . . . 100.0 111.258 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 54.1 42.04 31.75 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.877 1.671 . . . . 100.0 113.392 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -80.25 132.2 35.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 104.421 -2.437 . . . . 100.0 104.421 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--O 1.258 1.509 0 CA-C-O 117.523 -1.227 . . . . 100.0 107.762 179.774 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 108.961 -1.655 . . . . 100.0 108.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.12 167.04 20.88 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.36 -0.978 . . . . 100.0 108.36 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 105.97 -1.863 . . . . 100.0 105.97 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.53 157.98 44.43 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 105.829 -1.915 . . . . 100.0 105.829 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.35 139.08 58.73 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.648 -0.705 . . . . 100.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.849 1.66 . . . . 100.0 113.441 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.6 p 50.02 48.85 21.36 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.656 1.983 . . . . 100.0 113.742 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.37 132.33 44.69 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.356 -0.979 . . . . 100.0 108.356 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.75 -0.02 57.52 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.795 1.238 . . . . 100.0 111.709 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.29 25.24 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.666 2.386 . . . . 100.0 113.204 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.72 26.26 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.476 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.12 52.95 12.7 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 115.823 1.786 . . . . 100.0 115.823 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.811 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.15 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-O 122.152 0.977 . . . . 100.0 112.076 -179.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.0 m -166.39 177.63 6.65 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 127.303 2.241 . . . . 100.0 108.02 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.91 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.064 -1.828 . . . . 100.0 106.064 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.14 -174.16 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.864 1.266 . . . . 100.0 107.992 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.68 -43.26 97.91 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 120.317 3.451 . . . . 100.0 120.317 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.32 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 118.091 2.626 . . . . 100.0 118.091 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.8 p -71.94 167.68 19.58 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.779 2.032 . . . . 100.0 112.171 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.35 -39.15 86.12 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.509 1.124 . . . . 100.0 109.757 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.59 -39.22 90.43 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.611 1.565 . . . . 100.0 109.376 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.19 8.92 35.88 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.078 1.351 . . . . 100.0 112.493 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m -58.63 -44.94 99.62 Favored Pre-proline 0 C--N 1.371 1.542 0 CA-C-O 116.141 -1.885 . . . . 100.0 114.181 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.55 -35.48 89.95 Favored 'Trans proline' 0 C--N 1.378 2.096 0 CA-C-N 122.744 2.016 . . . . 100.0 112.174 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -39.38 90.63 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.183 1.393 . . . . 100.0 110.908 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.34 -9.96 57.64 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.531 1.532 . . . . 100.0 111.063 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.22 14.23 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.861 2.065 . . . . 100.0 107.952 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.42 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.437 0 CA-C-N 114.207 -1.361 . . . . 100.0 110.951 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.19 -45.37 93.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.647 0.779 . . . . 100.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.0 -38.77 92.05 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 128.312 2.645 . . . . 100.0 113.429 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.253 88.2 m-85 72.12 11.49 6.0 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.971 2.108 . . . . 100.0 114.516 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -118.29 127.34 53.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 101.649 -3.463 . . . . 100.0 101.649 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -82.89 122.08 27.78 Favored 'General case' 0 CA--C 1.492 -1.255 0 CA-C-O 121.123 0.487 . . . . 100.0 111.286 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.514 0 C-N-CA 126.264 1.888 . . . . 100.0 112.821 -179.904 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.0 mttt . . . . . 0 CA--C 1.482 -1.673 0 N-CA-C 105.962 -1.866 . . . . 100.0 105.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.99 -39.95 83.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.599 -1.182 . . . . 100.0 108.935 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.34 -45.6 93.76 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.218 1.407 . . . . 100.0 112.06 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.31 148.45 25.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 121.612 0.72 . . . . 100.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.01 125.09 39.44 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.953 -1.021 . . . . 100.0 108.63 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.252 40.4 m0 52.79 39.11 28.19 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.97 1.841 . . . . 100.0 115.97 179.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.406 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 59.3 t80 -63.69 -48.27 80.4 Favored Pre-proline 0 N--CA 1.441 -0.922 0 CA-C-O 117.29 -1.338 . . . . 100.0 111.077 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 32.1 Cg_endo -61.77 -37.87 64.33 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.117 1.878 . . . . 100.0 112.127 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.9 mp0 -63.22 -41.15 99.08 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.198 0.936 . . . . 100.0 111.724 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.0 -43.75 97.93 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.265 0.353 . . . . 100.0 110.484 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -42.34 96.82 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.762 0.825 . . . . 100.0 112.517 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.51 128.23 35.43 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.827 1.047 . . . . 100.0 113.827 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.8 m -66.76 -44.12 82.29 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.059 1.344 . . . . 100.0 108.42 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -117.02 130.14 56.48 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 107.67 -1.233 . . . . 100.0 107.67 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.29 11.62 60.08 Favored Glycine 0 N--CA 1.436 -1.342 0 CA-C-O 118.16 -1.356 . . . . 100.0 114.869 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 57' ' ' VAL . 68.6 mm-40 -60.52 -44.04 96.46 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 115.487 1.662 . . . . 100.0 115.487 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -66.41 -46.41 76.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 118.419 0.554 . . . . 100.0 110.777 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -92.07 61.4 3.99 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.562 0.949 . . . . 100.0 113.562 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.4 p -145.88 156.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 107.366 -1.346 . . . . 100.0 107.366 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -73.04 153.49 40.85 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.116 -1.438 . . . . 100.0 107.116 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -61.01 -43.71 92.04 Favored Pre-proline 0 C--N 1.354 0.773 0 N-CA-C 115.712 1.745 . . . . 100.0 115.712 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.95 -31.14 91.15 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.294 1.996 . . . . 100.0 115.544 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -109.72 126.19 53.45 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-N 119.001 0.818 . . . . 100.0 111.476 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.4 mt -113.55 120.85 42.4 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 107.328 -1.36 . . . . 100.0 107.328 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.44 -42.34 99.39 Favored 'General case' 0 CA--C 1.495 -1.169 0 C-N-CA 125.23 1.412 . . . . 100.0 112.934 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.4 mtm -63.44 -42.22 98.67 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 112.345 0.498 . . . . 100.0 112.345 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.26 -42.57 96.4 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 114.428 1.27 . . . . 100.0 114.428 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.06 123.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 108.903 -0.777 . . . . 100.0 108.903 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -42.21 94.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.955 1.302 . . . . 100.0 109.792 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.9 144.12 49.1 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.017 0.927 . . . . 100.0 111.031 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.09 41.24 32.1 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.011 1.724 . . . . 100.0 113.966 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.2 m -81.73 131.03 35.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--O 1.257 1.489 0 N-CA-C 107.389 -1.338 . . . . 100.0 107.389 179.816 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 108.988 -1.645 . . . . 100.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.02 166.99 21.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.393 -0.966 . . . . 100.0 108.393 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.13 73.74 10.05 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.99 44.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.77 -1.937 . . . . 100.0 105.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.37 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.92 33.9 23.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.808 1.643 . . . . 100.0 113.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 63.0 p 49.97 48.86 21.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.677 1.991 . . . . 100.0 113.76 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.35 132.34 44.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.362 -0.977 . . . . 100.0 108.362 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.71 -0.13 57.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.844 1.258 . . . . 100.0 111.687 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.763 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.22 25.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.666 2.386 . . . . 100.0 113.218 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.51 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.13 52.97 12.67 Favored 'General case' 0 C--N 1.361 1.101 0 N-CA-C 115.83 1.789 . . . . 100.0 115.83 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-O 122.113 0.958 . . . . 100.0 112.133 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.8 m -166.3 177.63 6.71 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 127.208 2.203 . . . . 100.0 107.967 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.91 99.71 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.107 -1.812 . . . . 100.0 106.107 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.21 -174.2 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.875 1.27 . . . . 100.0 107.959 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.27 97.78 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 120.276 3.436 . . . . 100.0 120.276 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.641 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 118.005 2.594 . . . . 100.0 118.005 -176.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -72.0 167.67 19.66 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.739 2.016 . . . . 100.0 112.169 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.31 -39.21 86.2 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 124.508 1.123 . . . . 100.0 109.77 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.12 90.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.574 1.549 . . . . 100.0 109.401 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.29 8.94 36.01 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 125.104 1.361 . . . . 100.0 112.463 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.62 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.15 -1.881 . . . . 100.0 114.155 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -60.56 -35.44 90.09 Favored 'Trans proline' 0 C--N 1.378 2.124 0 CA-C-N 122.704 2.001 . . . . 100.0 112.208 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.89 -39.34 90.55 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.183 1.393 . . . . 100.0 110.911 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.38 -9.93 57.64 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.555 1.542 . . . . 100.0 111.028 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.5 m 61.78 39.26 14.2 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.899 2.079 . . . . 100.0 107.921 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.45 -40.42 95.68 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 114.259 -1.337 . . . . 100.0 110.914 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -48.0 82.17 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 123.609 0.764 . . . . 100.0 109.755 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -64.2 -38.88 92.64 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 126.044 1.737 . . . . 100.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 70.9 10.99 7.07 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.496 1.919 . . . . 100.0 112.716 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.495 HH21 ' HD1' ' A' ' 45' ' ' TYR . 72.7 mtp85 -114.99 122.97 47.88 Favored 'General case' 0 CA--C 1.495 -1.139 1 N-CA-C 98.23 -4.73 . . . . 100.0 98.23 177.473 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -81.81 128.15 33.71 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 116.085 -0.507 . . . . 100.0 109.697 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.552 0 C-N-CA 125.088 1.328 . . . . 100.0 113.007 -179.086 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 41' ' ' ASP . 88.2 tttt . . . . . 0 N--CA 1.428 -1.537 0 N-CA-C 105.604 -1.999 . . . . 100.0 105.604 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -65.85 -37.66 86.76 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-N 114.397 -1.274 . . . . 100.0 113.704 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 82.1 m-20 -61.02 -44.78 96.91 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.321 1.048 . . . . 100.0 110.588 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -85.95 147.1 26.39 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.358 0.599 . . . . 100.0 110.162 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.84 127.38 42.76 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.398 -0.819 . . . . 100.0 111.038 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 53.85 37.48 26.55 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.626 2.37 . . . . 100.0 112.301 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HD1' HH21 ' A' ' 32' ' ' ARG . 41.4 t80 -63.65 -47.87 81.43 Favored Pre-proline 0 C--N 1.359 1.007 0 CA-C-O 117.215 -1.374 . . . . 100.0 113.724 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.17 -36.67 68.0 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.913 1.742 . . . . 100.0 111.776 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -64.52 -39.8 94.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.049 0.94 . . . . 100.0 111.738 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.76 -45.2 93.78 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 122.857 0.463 . . . . 100.0 109.783 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.44 -42.02 96.24 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 113.075 0.769 . . . . 100.0 113.075 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -73.48 126.84 31.14 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 122.119 0.961 . . . . 100.0 113.362 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -66.68 -43.35 84.67 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.252 1.421 . . . . 100.0 109.885 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -113.9 128.68 56.5 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 106.813 -1.551 . . . . 100.0 106.813 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.01 10.4 56.99 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 118.521 -1.155 . . . . 100.0 113.995 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 57' ' ' VAL . 86.8 tt0 -60.55 -46.35 90.53 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.658 1.229 . . . . 100.0 112.97 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.27 -47.85 72.34 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 122.827 0.451 . . . . 100.0 111.395 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -92.82 64.36 4.02 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 113.669 0.988 . . . . 100.0 113.669 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.9 p -148.29 155.77 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 106.981 -1.489 . . . . 100.0 106.981 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -72.03 152.76 42.19 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.437 1.495 . . . . 100.0 107.166 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.24 -44.57 93.84 Favored Pre-proline 0 C--N 1.353 0.724 0 CA-C-O 116.927 -1.511 . . . . 100.0 115.046 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.49 -23.5 64.53 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.458 2.105 . . . . 100.0 115.747 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -108.26 120.22 41.74 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 119.303 0.956 . . . . 100.0 108.592 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.85 119.43 35.38 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.938 0.875 . . . . 100.0 108.735 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.7 m-20 -62.95 -41.75 99.6 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 125.432 1.493 . . . . 100.0 111.827 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.09 -44.67 96.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.108 0.963 . . . . 100.0 111.768 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.92 -42.65 94.51 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 115.248 1.573 . . . . 100.0 115.248 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.61 123.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.01 -43.99 97.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 C-N-CA 125.238 1.415 . . . . 100.0 109.824 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.03 146.88 41.19 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 121.213 0.53 . . . . 100.0 112.121 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 54.01 42.35 31.68 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.144 1.778 . . . . 100.0 113.71 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 63' ' ' ASP . 45.1 m -81.95 130.89 35.21 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 105.436 -2.061 . . . . 100.0 105.436 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--O 1.258 1.501 0 CA-C-O 117.246 -1.359 . . . . 100.0 108.95 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 108.977 -1.649 . . . . 100.0 108.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 166.97 21.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.37 -0.974 . . . . 100.0 108.37 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.984 -1.858 . . . . 100.0 105.984 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.59 157.97 44.43 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 105.806 -1.924 . . . . 100.0 105.806 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.418 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.31 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.625 -0.716 . . . . 100.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.841 1.656 . . . . 100.0 113.424 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.2 p 49.99 48.88 21.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.644 1.977 . . . . 100.0 113.716 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.743 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.6 m -71.4 132.36 44.7 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.347 -0.983 . . . . 100.0 108.347 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.69 -0.15 57.54 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.871 1.268 . . . . 100.0 111.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.743 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.51 36.26 25.14 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.708 2.403 . . . . 100.0 113.17 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.68 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.33 -0.85 . . . . 100.0 110.496 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.96 12.67 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 115.807 1.78 . . . . 100.0 115.807 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.793 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.15 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 CA-C-O 122.092 0.949 . . . . 100.0 112.117 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.3 m -166.36 177.62 6.68 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 127.28 2.232 . . . . 100.0 107.965 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.065 -1.828 . . . . 100.0 106.065 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.16 -174.17 3.47 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 124.84 1.256 . . . . 100.0 108.017 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -60.71 -43.22 98.1 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.284 3.439 . . . . 100.0 120.284 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.642 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 118.073 2.62 . . . . 100.0 118.073 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.404 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.1 p -71.95 167.66 19.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.804 2.042 . . . . 100.0 112.158 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.34 -39.19 86.21 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.519 1.128 . . . . 100.0 109.755 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.19 90.26 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.627 1.571 . . . . 100.0 109.378 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.27 9.0 35.75 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.08 1.352 . . . . 100.0 112.446 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.69 -44.99 99.65 Favored Pre-proline 0 C--N 1.371 1.539 0 CA-C-O 116.109 -1.901 . . . . 100.0 114.12 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.48 -35.52 90.13 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-N 122.771 2.025 . . . . 100.0 112.202 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.255 1.422 . . . . 100.0 110.886 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.587 1.555 . . . . 100.0 111.037 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.19 14.27 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.837 2.055 . . . . 100.0 107.947 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.41 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 114.269 -1.332 . . . . 100.0 110.955 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.17 -47.3 85.14 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.609 0.764 . . . . 100.0 109.708 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.32 -38.08 84.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.81 1.244 . . . . 100.0 114.235 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.28 77.9 m-85 68.54 16.98 9.09 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.024 1.73 . . . . 100.0 112.441 -175.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -116.67 123.0 46.19 Favored 'General case' 0 N--CA 1.434 -1.274 1 N-CA-C 100.113 -4.032 . . . . 100.0 100.113 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.57 126.71 34.09 Favored 'General case' 0 CA--C 1.483 -1.603 0 C-N-CA 119.094 -1.042 . . . . 100.0 112.634 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.464 0 CA-C-N 113.382 -1.736 . . . . 100.0 111.55 179.1 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.5 mttt . . . . . 0 CA--C 1.488 -1.407 0 N-CA-C 104.582 -2.377 . . . . 100.0 104.582 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -66.67 -39.2 88.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.959 -1.019 . . . . 100.0 113.053 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.82 -43.65 98.24 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.959 0.904 . . . . 100.0 110.832 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -77.44 145.81 36.9 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.868 0.867 . . . . 100.0 108.888 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -101.41 124.91 47.85 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 107.811 -1.181 . . . . 100.0 107.811 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.312 44.0 m0 53.32 40.42 31.29 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 127.125 2.17 . . . . 100.0 116.199 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.88 -46.15 81.37 Favored Pre-proline 0 C--N 1.36 1.033 0 CA-C-O 117.361 -1.304 . . . . 100.0 110.15 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.87 -39.14 64.32 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.55 2.166 . . . . 100.0 111.385 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.6 mp0 -63.33 -41.15 98.88 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 124.327 1.017 . . . . 100.0 111.853 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.29 -43.96 96.42 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 123.249 0.343 . . . . 100.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -40.04 88.81 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.931 1.086 . . . . 100.0 113.931 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.07 128.59 37.11 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 123.418 0.687 . . . . 100.0 111.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.5 m -66.41 -44.05 84.06 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.723 1.209 . . . . 100.0 109.928 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -121.65 133.17 54.97 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.485 -1.672 . . . . 100.0 106.485 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.9 13.81 57.52 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-O 117.567 -1.685 . . . . 100.0 116.422 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.5 tt0 -60.8 -44.18 97.19 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.919 1.86 . . . . 100.0 113.417 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.04 -47.15 78.38 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.114 0.416 . . . . 100.0 111.328 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -92.22 61.48 3.92 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 112.379 0.511 . . . . 100.0 112.379 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.3 p -144.15 154.99 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 106.584 -1.636 . . . . 100.0 106.584 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -73.04 151.98 41.48 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.149 -1.797 . . . . 100.0 106.149 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -61.54 -43.84 90.04 Favored Pre-proline 0 C--N 1.354 0.799 0 N-CA-C 115.784 1.772 . . . . 100.0 115.784 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -61.54 -30.38 86.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.431 2.087 . . . . 100.0 115.817 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -113.21 126.24 55.21 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 119.369 0.986 . . . . 100.0 111.176 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.59 123.61 50.37 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 108.418 -0.956 . . . . 100.0 108.418 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.59 -40.04 95.63 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 125.479 1.511 . . . . 100.0 111.918 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 72.7 mtm -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.552 0.741 . . . . 100.0 110.963 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.91 -43.09 93.96 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 115.074 1.509 . . . . 100.0 115.074 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -108.69 122.74 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 N-CA-C 108.437 -0.949 . . . . 100.0 108.437 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.15 -41.17 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 125.093 1.357 . . . . 100.0 108.562 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.07 142.85 47.61 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.718 0.807 . . . . 100.0 110.886 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 53.82 42.22 31.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.521 1.528 . . . . 100.0 113.982 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -76.16 131.84 39.62 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.147 -2.538 . . . . 100.0 104.147 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--O 1.258 1.534 0 N-CA-C 107.23 -1.396 . . . . 100.0 107.23 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 109.011 -1.636 . . . . 100.0 109.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -80.08 166.98 20.98 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.358 -0.978 . . . . 100.0 108.358 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 m -83.1 73.72 10.05 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 105.977 -1.86 . . . . 100.0 105.977 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.98 44.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 105.814 -1.921 . . . . 100.0 105.814 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.29 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.692 -0.686 . . . . 100.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.93 23.34 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.835 1.654 . . . . 100.0 113.414 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.1 p 49.99 48.84 21.34 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.629 1.972 . . . . 100.0 113.76 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.752 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.01 57.52 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.803 1.241 . . . . 100.0 111.72 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.752 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.36 36.28 25.38 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.665 2.386 . . . . 100.0 113.26 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.22 8.85 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.266 -0.879 . . . . 100.0 110.457 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.94 12.72 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 115.856 1.799 . . . . 100.0 115.856 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.834 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.12 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-O 122.143 0.973 . . . . 100.0 112.118 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.9 m -166.34 177.58 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.244 2.218 . . . . 100.0 107.942 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.99 99.77 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 106.093 -1.818 . . . . 100.0 106.093 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.13 -174.22 3.49 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.894 1.278 . . . . 100.0 108.025 177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.66 -43.23 97.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 120.298 3.444 . . . . 100.0 120.298 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.37 -178.7 6.99 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 118.043 2.609 . . . . 100.0 118.043 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.4 p -71.92 167.63 19.67 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.815 2.046 . . . . 100.0 112.136 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.23 86.13 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.513 1.125 . . . . 100.0 109.785 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.58 -39.13 90.08 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.561 1.544 . . . . 100.0 109.384 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.23 8.93 35.95 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.122 1.369 . . . . 100.0 112.433 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.73 -44.9 99.54 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.131 -1.89 . . . . 100.0 114.15 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.6 -35.4 89.99 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 122.729 2.01 . . . . 100.0 112.218 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.86 -39.4 90.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.233 1.413 . . . . 100.0 110.882 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.41 -9.91 57.64 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.57 1.548 . . . . 100.0 111.023 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.81 39.18 14.18 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.851 2.06 . . . . 100.0 107.934 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.44 -40.37 95.6 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.27 -1.332 . . . . 100.0 110.946 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.14 -45.67 92.39 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 123.606 0.762 . . . . 100.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -65.2 -39.26 92.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.096 2.158 . . . . 100.0 114.222 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 72.71 9.59 5.58 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.645 1.978 . . . . 100.0 113.858 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -113.83 124.85 53.24 Favored 'General case' 0 N--CA 1.439 -1.0 1 N-CA-C 99.874 -4.121 . . . . 100.0 99.874 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -96.94 120.25 36.93 Favored 'General case' 0 CA--C 1.495 -1.163 0 C-N-CA 117.77 -1.572 . . . . 100.0 109.457 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.46 0 C-N-CA 125.874 1.702 . . . . 100.0 113.512 179.589 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.4 mttt . . . . . 0 CA--C 1.481 -1.704 0 N-CA-C 103.984 -2.599 . . . . 100.0 103.984 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -66.14 -38.91 89.3 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.094 -1.412 . . . . 100.0 112.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -62.09 -43.79 98.08 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.09 0.956 . . . . 100.0 110.979 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -81.64 146.66 29.95 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.189 0.518 . . . . 100.0 110.549 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.7 124.18 41.92 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.952 -0.759 . . . . 100.0 108.952 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.4 m0 52.93 41.33 31.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.287 2.235 . . . . 100.0 112.91 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 41.6 t80 -62.89 -46.83 87.73 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 117.188 -1.387 . . . . 100.0 111.553 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 44.8 Cg_endo -61.71 -37.13 70.6 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 122.228 1.952 . . . . 100.0 111.849 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.2 -39.28 92.59 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 124.299 0.999 . . . . 100.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.77 -44.97 95.83 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 124.121 0.968 . . . . 100.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.6 -42.1 92.05 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.054 0.942 . . . . 100.0 113.154 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.22 130.62 41.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 114.077 1.14 . . . . 100.0 114.077 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -65.62 -44.17 87.34 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.378 1.471 . . . . 100.0 109.617 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.83 128.51 56.44 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 108.114 -1.069 . . . . 100.0 108.114 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.47 58.19 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 118.945 -0.919 . . . . 100.0 112.5 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 57' ' ' VAL . 96.7 mt-10 -59.94 -46.76 88.36 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.308 1.443 . . . . 100.0 112.652 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.61 -46.79 68.34 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 122.276 0.231 . . . . 100.0 111.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -91.75 62.78 4.48 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.358 0.599 . . . . 100.0 112.077 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.9 p -145.59 154.8 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 106.832 -1.544 . . . . 100.0 106.832 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -71.63 149.24 45.78 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.626 -1.99 . . . . 100.0 105.626 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -61.49 -42.72 85.94 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.942 -1.504 . . . . 100.0 114.574 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -60.49 -32.21 93.4 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.256 1.971 . . . . 100.0 115.617 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -108.15 126.25 52.56 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 119.206 0.912 . . . . 100.0 110.793 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.2 mt -113.19 117.69 32.61 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 106.797 -1.557 . . . . 100.0 106.797 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.8 m-20 -63.02 -41.32 99.52 Favored 'General case' 0 CA--C 1.494 -1.184 0 C-N-CA 125.789 1.636 . . . . 100.0 112.727 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.1 mmt -63.17 -43.95 96.83 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 112.333 0.494 . . . . 100.0 112.333 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.14 -41.08 90.93 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 115.11 1.522 . . . . 100.0 115.11 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.29 122.1 58.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 N-CA-C 108.585 -0.894 . . . . 100.0 108.585 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.22 -42.85 96.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 125.155 1.382 . . . . 100.0 110.24 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -74.18 143.67 45.13 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 112.6 0.593 . . . . 100.0 112.6 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 52.95 41.87 32.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 126.672 1.989 . . . . 100.0 113.454 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 63' ' ' ASP . 22.5 m -81.21 131.4 35.29 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.23 -2.137 . . . . 100.0 105.23 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.259 1.562 0 CA-C-O 117.567 -1.206 . . . . 100.0 108.111 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.003 -1.639 . . . . 100.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.01 167.01 20.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.383 -0.969 . . . . 100.0 108.383 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.14 73.7 10.06 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 105.99 -1.855 . . . . 100.0 105.99 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.97 44.42 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 105.794 -1.928 . . . . 100.0 105.794 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.419 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.34 139.11 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.649 -0.705 . . . . 100.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.813 1.645 . . . . 100.0 113.415 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.254 64.9 p 49.98 48.92 21.21 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.723 2.009 . . . . 100.0 113.687 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.762 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.38 132.34 44.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.378 -0.971 . . . . 100.0 108.378 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.04 57.52 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.827 1.251 . . . . 100.0 111.757 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.762 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.42 36.25 25.28 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 127.675 2.39 . . . . 100.0 113.223 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.24 8.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 115.273 -0.876 . . . . 100.0 110.472 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.89 12.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 115.842 1.793 . . . . 100.0 115.842 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.03 120.05 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 122.121 0.962 . . . . 100.0 112.111 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 23' ' ' CYS . 98.8 m -166.29 177.62 6.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 127.288 2.235 . . . . 100.0 108.005 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.98 99.77 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 106.084 -1.821 . . . . 100.0 106.084 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.17 3.48 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.911 1.285 . . . . 100.0 108.056 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.7 -43.18 98.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 120.354 3.464 . . . . 100.0 120.354 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.42 -178.62 6.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 118.061 2.615 . . . . 100.0 118.061 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.2 p -72.0 167.68 19.63 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.769 2.028 . . . . 100.0 112.147 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.24 -39.31 86.28 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 124.58 1.152 . . . . 100.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.48 -39.25 90.27 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.628 1.571 . . . . 100.0 109.385 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.87 36.05 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.138 1.375 . . . . 100.0 112.479 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.97 99.63 Favored Pre-proline 0 C--N 1.371 1.509 0 CA-C-O 116.129 -1.891 . . . . 100.0 114.094 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.62 -35.4 89.9 Favored 'Trans proline' 0 C--N 1.378 2.118 0 CA-C-N 122.763 2.022 . . . . 100.0 112.211 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.84 -39.4 90.75 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.199 1.4 . . . . 100.0 110.928 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.36 -9.91 57.56 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.555 1.542 . . . . 100.0 111.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m 61.8 39.21 14.2 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.884 2.074 . . . . 100.0 107.911 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.39 -40.38 95.68 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-N 114.248 -1.342 . . . . 100.0 110.932 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.2 -44.61 96.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.592 0.757 . . . . 100.0 109.71 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.79 -37.38 81.96 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.498 1.519 . . . . 100.0 113.835 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.299 75.4 m-85 69.9 17.95 7.4 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.19 1.796 . . . . 100.0 113.481 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 48' ' ' GLU . 78.6 mtp180 -117.65 126.47 52.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 100.98 -3.711 . . . . 100.0 100.98 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.36 119.16 23.8 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 107.734 -1.209 . . . . 100.0 107.734 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.626 0 C-N-CA 125.389 1.471 . . . . 100.0 114.461 -178.677 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt . . . . . 0 CA--C 1.489 -1.377 0 N-CA-C 103.498 -2.778 . . . . 100.0 103.498 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -66.16 -40.86 90.85 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 115.079 -0.964 . . . . 100.0 112.319 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.32 -42.91 99.04 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.11 0.964 . . . . 100.0 111.556 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -80.13 146.79 31.66 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 121.158 0.504 . . . . 100.0 109.731 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -101.19 127.3 47.82 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 107.705 -1.22 . . . . 100.0 107.705 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 42.5 m0 53.17 41.33 32.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.872 2.069 . . . . 100.0 113.643 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.3 -48.76 82.03 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 117.14 -1.409 . . . . 100.0 110.987 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.91 -37.8 63.29 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 121.924 1.75 . . . . 100.0 112.345 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.8 mp0 -63.28 -41.7 99.01 Favored 'General case' 0 N--CA 1.435 -1.18 0 O-C-N 124.409 1.068 . . . . 100.0 111.775 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HB2' HH22 ' A' ' 32' ' ' ARG . 95.4 mt-10 -63.54 -42.89 98.39 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 123.092 0.245 . . . . 100.0 110.56 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.25 -41.09 94.65 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 112.99 0.737 . . . . 100.0 112.99 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.5 129.95 40.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 113.937 1.088 . . . . 100.0 113.937 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -66.22 -44.14 84.66 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.188 1.395 . . . . 100.0 110.117 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -115.66 129.82 56.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.271 -1.381 . . . . 100.0 107.271 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.76 12.58 57.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 118.759 -1.023 . . . . 100.0 114.18 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.23 -46.84 88.38 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.879 1.272 . . . . 100.0 112.476 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.7 -46.0 73.49 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 123.044 0.538 . . . . 100.0 111.846 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 60.4 3.98 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 113.105 0.779 . . . . 100.0 113.105 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -147.88 153.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 106.382 -1.71 . . . . 100.0 106.382 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.96 156.45 36.29 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.326 -1.361 . . . . 100.0 107.326 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.74 -44.06 93.93 Favored Pre-proline 0 C--N 1.353 0.732 0 N-CA-C 116.129 1.9 . . . . 100.0 116.129 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -61.48 -30.54 86.8 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.379 2.053 . . . . 100.0 116.268 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.89 123.41 49.03 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-N 119.414 1.006 . . . . 100.0 110.006 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.79 121.67 43.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 122.304 1.049 . . . . 100.0 109.137 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.5 m-20 -62.92 -40.18 96.83 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.594 -1.639 . . . . 100.0 111.722 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.38 -45.05 96.0 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.227 1.011 . . . . 100.0 111.682 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.83 -42.06 91.02 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.213 1.56 . . . . 100.0 115.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.2 122.22 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 108.736 -0.839 . . . . 100.0 108.736 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.23 -42.93 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 C-N-CA 125.295 1.438 . . . . 100.0 109.575 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -73.84 146.2 44.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 123.727 0.811 . . . . 100.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 54.23 40.61 31.86 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.078 1.751 . . . . 100.0 113.704 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 63' ' ' ASP . 33.1 m -80.44 131.82 35.64 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 105.166 -2.161 . . . . 100.0 105.166 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--O 1.257 1.482 0 N-CA-C 107.525 -1.287 . . . . 100.0 107.525 179.939 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -80.11 166.96 20.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.343 -0.984 . . . . 100.0 108.343 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.8 m -83.08 73.73 10.04 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.963 -1.866 . . . . 100.0 105.963 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.45 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.808 -1.923 . . . . 100.0 105.808 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.414 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.27 139.05 58.73 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.665 -0.698 . . . . 100.0 111.207 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.89 23.31 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.854 1.662 . . . . 100.0 113.443 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.5 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.63 1.972 . . . . 100.0 113.748 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.756 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 108.404 -0.962 . . . . 100.0 108.404 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.07 57.53 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.851 1.26 . . . . 100.0 111.687 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.756 ' H ' HG22 ' A' ' 8' ' ' THR . 72.5 mt-10 58.5 36.19 25.11 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.669 2.388 . . . . 100.0 113.22 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.477 ' HG3' HG23 ' A' ' 13' ' ' ILE . 23.9 pt20 -121.61 26.19 8.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.289 -0.868 . . . . 100.0 110.514 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.27 52.84 12.79 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 115.818 1.784 . . . . 100.0 115.818 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.805 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.14 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.172 0.987 . . . . 100.0 112.123 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.4 m -166.33 177.61 6.71 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 127.262 2.225 . . . . 100.0 107.989 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.92 99.73 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.13 -174.27 3.5 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 124.953 1.301 . . . . 100.0 108.034 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.61 -43.22 97.7 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 120.306 3.447 . . . . 100.0 120.306 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.647 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.1 mmm -84.44 -178.68 6.98 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 118.026 2.602 . . . . 100.0 118.026 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -71.92 167.69 19.54 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.773 2.029 . . . . 100.0 112.157 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.513 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.27 86.29 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.552 1.141 . . . . 100.0 109.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.5 -39.19 90.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.628 1.571 . . . . 100.0 109.384 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.25 8.89 36.16 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.081 1.352 . . . . 100.0 112.411 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.61 -45.0 99.68 Favored Pre-proline 0 C--N 1.371 1.53 0 CA-C-O 116.17 -1.872 . . . . 100.0 114.141 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -60.56 -35.43 90.1 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 122.671 1.99 . . . . 100.0 112.171 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -39.39 90.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.208 1.403 . . . . 100.0 110.884 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -70.35 -9.95 57.66 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.542 1.537 . . . . 100.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.76 39.21 14.31 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.854 2.062 . . . . 100.0 107.965 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.37 -40.44 95.85 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.226 -1.352 . . . . 100.0 110.927 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.09 -44.68 96.14 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.653 0.781 . . . . 100.0 109.729 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.81 -38.63 86.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.509 1.524 . . . . 100.0 113.484 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.252 92.5 m-85 69.28 17.07 8.34 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.657 1.983 . . . . 100.0 111.782 -175.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttm-85 -114.56 120.18 39.32 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.884 -4.117 . . . . 100.0 99.884 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -81.6 123.99 29.15 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.756 -0.461 . . . . 100.0 109.756 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.356 1.69 0 C-N-CA 124.612 1.101 . . . . 100.0 112.418 179.687 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt . . . . . 0 CA--C 1.483 -1.619 0 N-CA-C 105.879 -1.897 . . . . 100.0 105.879 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.89 -40.88 83.43 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.809 -1.087 . . . . 100.0 110.685 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -62.16 -44.73 95.96 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 125.059 1.343 . . . . 100.0 112.05 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -86.72 148.0 25.62 Favored 'General case' 0 CA--C 1.493 -1.25 0 CA-C-O 121.519 0.676 . . . . 100.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -97.36 127.33 43.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 114.915 -1.038 . . . . 100.0 108.213 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 46.3 m0 53.72 39.96 30.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 126.911 2.085 . . . . 100.0 115.108 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.69 -46.34 82.64 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 117.452 -1.261 . . . . 100.0 110.642 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -60.42 -38.02 77.17 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.605 2.203 . . . . 100.0 111.545 178.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 53.0 mp0 -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 124.533 1.146 . . . . 100.0 111.914 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.88 -45.72 92.53 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 109.477 -0.564 . . . . 100.0 109.477 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.55 -40.16 88.91 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 114.332 1.234 . . . . 100.0 114.332 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 130.22 40.15 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 113.88 1.067 . . . . 100.0 113.88 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.9 p -64.95 -43.96 90.99 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.031 1.333 . . . . 100.0 112.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -115.53 129.65 56.61 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.499 -1.667 . . . . 100.0 106.499 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.84 9.75 56.93 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.092 -1.393 . . . . 100.0 114.814 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.9 tt0 -60.92 -45.48 94.49 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.35 1.575 . . . . 100.0 113.474 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -65.01 -48.26 74.56 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.065 0.393 . . . . 100.0 111.116 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -92.82 61.9 3.63 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 112.935 0.717 . . . . 100.0 112.935 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.0 p -139.98 155.0 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.278 -1.749 . . . . 100.0 106.278 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -71.9 149.04 45.5 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 105.34 -2.096 . . . . 100.0 105.34 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.51 -43.82 93.83 Favored Pre-proline 0 C--N 1.354 0.787 0 N-CA-C 115.497 1.666 . . . . 100.0 115.497 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -32.12 92.83 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.386 2.058 . . . . 100.0 115.618 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -110.61 128.11 55.54 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 118.904 0.775 . . . . 100.0 112.17 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.0 123.0 49.32 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 107.841 -1.17 . . . . 100.0 107.841 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.41 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.4 m-20 -62.7 -40.4 97.03 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 125.465 1.506 . . . . 100.0 112.048 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.84 -45.45 93.76 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.693 0.797 . . . . 100.0 111.291 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -66.38 -41.57 89.2 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 115.3 1.592 . . . . 100.0 115.3 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.77 123.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 CA-C-O 121.76 0.79 . . . . 100.0 108.958 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.97 -42.55 95.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 125.296 1.438 . . . . 100.0 109.294 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -72.38 143.68 48.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 124.02 0.928 . . . . 100.0 111.065 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 53.28 42.37 32.09 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 126.042 1.737 . . . . 100.0 113.766 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 63' ' ' ASP . 38.4 m -81.25 127.49 32.76 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 104.264 -2.495 . . . . 100.0 104.264 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--O 1.258 1.519 0 CA-C-O 117.288 -1.339 . . . . 100.0 108.78 -179.421 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -79.98 167.02 21.01 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.403 -0.962 . . . . 100.0 108.403 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -83.14 73.69 10.06 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.966 -1.864 . . . . 100.0 105.966 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.95 44.46 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.818 -1.919 . . . . 100.0 105.818 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.708 -0.678 . . . . 100.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.99 33.87 23.27 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.835 1.654 . . . . 100.0 113.387 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.3 p 49.99 48.9 21.25 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.7 2.0 . . . . 100.0 113.711 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.35 132.36 44.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.405 -0.961 . . . . 100.0 108.405 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.07 57.53 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.832 1.253 . . . . 100.0 111.665 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.732 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.22 25.19 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 127.642 2.377 . . . . 100.0 113.232 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.65 26.27 8.83 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.276 -0.875 . . . . 100.0 110.495 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.1 52.89 12.84 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.874 1.805 . . . . 100.0 115.874 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.826 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.08 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 122.149 0.976 . . . . 100.0 112.181 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.1 m -166.28 177.62 6.73 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 127.254 2.222 . . . . 100.0 107.978 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.96 99.77 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 106.062 -1.829 . . . . 100.0 106.062 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.45 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.23 3.5 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 124.881 1.272 . . . . 100.0 107.992 177.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.62 -43.23 97.72 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 120.338 3.459 . . . . 100.0 120.338 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.44 -178.59 6.95 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 118.045 2.609 . . . . 100.0 118.045 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.407 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.0 p -71.98 167.68 19.61 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.778 2.031 . . . . 100.0 112.124 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.31 -39.26 86.37 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.58 1.152 . . . . 100.0 109.722 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.53 -39.15 90.0 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.579 1.551 . . . . 100.0 109.44 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.25 8.92 36.02 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.13 1.372 . . . . 100.0 112.426 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.99 99.66 Favored Pre-proline 0 C--N 1.371 1.51 0 CA-C-O 116.132 -1.89 . . . . 100.0 114.116 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.49 -35.53 90.06 Favored 'Trans proline' 0 C--N 1.379 2.142 0 CA-C-N 122.772 2.026 . . . . 100.0 112.212 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.85 -39.38 90.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.219 1.408 . . . . 100.0 110.873 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.563 1.545 . . . . 100.0 111.053 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m 61.85 39.14 14.09 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.832 2.053 . . . . 100.0 107.972 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.38 -40.39 95.73 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.235 -1.348 . . . . 100.0 110.927 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.18 -47.38 84.78 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 123.631 0.772 . . . . 100.0 109.7 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -65.98 -38.42 88.48 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.611 1.564 . . . . 100.0 114.162 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 71.61 11.5 6.46 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.998 2.119 . . . . 100.0 111.918 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -115.07 126.54 54.81 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 101.462 -3.533 . . . . 100.0 101.462 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -78.08 125.98 30.14 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 112.849 0.685 . . . . 100.0 112.849 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.632 0 C-N-CA 125.812 1.672 . . . . 100.0 111.648 179.928 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt . . . . . 0 N--CA 1.431 -1.393 0 N-CA-C 104.226 -2.509 . . . . 100.0 104.226 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -66.76 -37.88 85.48 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.7 -1.136 . . . . 100.0 113.516 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.76 -45.44 94.32 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.874 0.87 . . . . 100.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -93.41 148.79 21.75 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 120.309 -0.556 . . . . 100.0 110.186 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.54 132.05 43.58 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.643 -0.708 . . . . 100.0 110.477 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.5 m95 55.75 38.37 30.0 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.627 2.371 . . . . 100.0 111.816 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -62.35 -49.52 83.58 Favored Pre-proline 0 C--N 1.358 0.953 0 CA-C-O 117.107 -1.425 . . . . 100.0 112.47 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -63.06 -37.28 53.75 Favored 'Trans proline' 0 C--N 1.38 2.222 0 CA-C-N 121.563 1.594 . . . . 100.0 112.077 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.11 -42.16 99.49 Favored 'General case' 0 CA--C 1.489 -1.378 0 O-C-N 124.303 1.002 . . . . 100.0 112.265 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.96 -42.93 97.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.389 0.43 . . . . 100.0 110.689 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.08 -41.35 95.13 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 113.113 0.782 . . . . 100.0 113.113 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.82 128.32 35.16 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 113.867 1.062 . . . . 100.0 113.867 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -65.74 -44.77 84.95 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.772 1.229 . . . . 100.0 110.52 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -117.06 130.66 56.81 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.481 -1.674 . . . . 100.0 106.481 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.73 52.83 Favored Glycine 0 N--CA 1.434 -1.462 0 CA-C-O 117.638 -1.646 . . . . 100.0 116.29 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.48 -45.68 93.22 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.966 1.883 . . . . 100.0 113.65 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -64.13 -48.76 74.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 118.202 0.455 . . . . 100.0 111.178 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -93.04 63.79 3.78 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 113.452 0.908 . . . . 100.0 113.452 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.34 153.62 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 106.223 -1.769 . . . . 100.0 106.223 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -72.54 149.88 43.67 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 105.012 -2.218 . . . . 100.0 105.012 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.21 -43.2 93.09 Favored Pre-proline 0 C--N 1.353 0.751 0 N-CA-C 117.707 2.484 . . . . 100.0 117.707 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.99 -26.56 78.73 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.208 1.939 . . . . 100.0 115.475 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -112.67 124.21 52.04 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 119.261 0.937 . . . . 100.0 110.361 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.67 119.29 36.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.113 -1.44 . . . . 100.0 107.113 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.68 -42.61 99.15 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 125.447 1.499 . . . . 100.0 113.219 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.96 -43.46 98.74 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.753 0.421 . . . . 100.0 112.124 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.86 -41.92 91.07 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 114.842 1.423 . . . . 100.0 114.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.78 125.05 65.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-O 121.711 0.767 . . . . 100.0 109.978 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.76 -41.87 93.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.845 1.658 . . . . 100.0 109.507 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.92 141.12 53.15 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.956 0.902 . . . . 100.0 111.203 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.21 42.6 32.13 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 126.199 1.8 . . . . 100.0 114.218 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -77.76 129.88 36.04 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 105.255 -2.128 . . . . 100.0 105.255 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 117.331 -1.319 . . . . 100.0 108.234 -179.271 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 108.963 -1.655 . . . . 100.0 108.963 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 167.0 20.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.5 m -83.12 73.69 10.05 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.969 -1.863 . . . . 100.0 105.969 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.96 44.44 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.782 -1.932 . . . . 100.0 105.782 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.41 139.1 58.74 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.636 -0.711 . . . . 100.0 111.196 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.88 33.95 23.36 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.839 1.656 . . . . 100.0 113.442 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.5 p 49.94 48.93 21.16 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.703 2.001 . . . . 100.0 113.722 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.4 m -71.4 132.35 44.69 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.369 -0.975 . . . . 100.0 108.369 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.08 57.53 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.83 1.252 . . . . 100.0 111.661 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.74 ' H ' HG22 ' A' ' 8' ' ' THR . 72.4 mt-10 58.41 36.25 25.29 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.716 2.406 . . . . 100.0 113.216 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.26 8.86 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.305 -0.861 . . . . 100.0 110.511 178.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.19 52.85 12.85 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.87 1.804 . . . . 100.0 115.87 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.807 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -104.98 120.12 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 CA-C-O 122.115 0.959 . . . . 100.0 112.159 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.32 177.62 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.32 2.248 . . . . 100.0 107.989 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 106.079 -1.823 . . . . 100.0 106.079 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.06 -174.2 3.5 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.916 1.286 . . . . 100.0 108.062 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.25 97.84 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 120.318 3.451 . . . . 100.0 120.318 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.639 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.39 -178.6 6.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 118.056 2.613 . . . . 100.0 118.056 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.5 p -71.95 167.68 19.58 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.801 2.041 . . . . 100.0 112.154 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.506 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.29 -39.22 86.15 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 124.517 1.127 . . . . 100.0 109.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.16 90.17 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.62 1.568 . . . . 100.0 109.379 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.3 8.96 35.97 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.115 1.366 . . . . 100.0 112.417 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.4 m -58.69 -44.97 99.64 Favored Pre-proline 0 C--N 1.372 1.544 0 CA-C-O 116.119 -1.896 . . . . 100.0 114.157 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.5 -35.52 90.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 CA-C-N 122.728 2.01 . . . . 100.0 112.188 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.148 1.379 . . . . 100.0 110.924 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.42 -9.93 57.73 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.586 1.554 . . . . 100.0 110.999 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.19 14.21 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.865 2.066 . . . . 100.0 107.957 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.39 95.66 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 114.257 -1.338 . . . . 100.0 110.888 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.15 -45.46 93.32 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 123.654 0.782 . . . . 100.0 109.697 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -67.87 -35.44 78.54 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 124.175 0.99 . . . . 100.0 113.383 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.278 64.8 m-85 66.85 25.19 9.6 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.473 1.509 . . . . 100.0 112.203 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -122.17 124.46 43.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 101.134 -3.654 . . . . 100.0 101.134 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -79.85 116.76 20.19 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 107.107 -1.442 . . . . 100.0 107.107 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.629 0 C-N-CA 125.401 1.476 . . . . 100.0 114.075 -178.469 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt . . . . . 0 CA--C 1.491 -1.315 0 N-CA-C 103.021 -2.955 . . . . 100.0 103.021 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -66.1 -38.77 89.06 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 124.05 0.94 . . . . 100.0 112.075 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -62.21 -44.16 97.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.536 1.134 . . . . 100.0 111.144 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -80.31 149.41 30.32 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 109.096 -0.705 . . . . 100.0 109.096 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.08 126.61 51.33 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.265 -1.383 . . . . 100.0 107.265 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.4 m0 54.81 39.42 31.41 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 126.642 1.977 . . . . 100.0 114.053 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 46.8 t80 -63.49 -48.1 82.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-O 117.367 -1.301 . . . . 100.0 110.6 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 35.1 Cg_endo -62.75 -36.01 65.23 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.1 1.867 . . . . 100.0 111.997 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.7 mp0 -63.77 -40.88 97.76 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 124.189 0.931 . . . . 100.0 111.588 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.27 -43.35 98.2 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 110.149 -0.315 . . . . 100.0 110.149 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.86 -41.87 95.33 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 113.311 0.856 . . . . 100.0 113.311 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.97 129.86 40.11 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.556 1.317 . . . . 100.0 114.556 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.1 m -65.21 -45.06 86.29 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 114.252 -1.34 . . . . 100.0 110.146 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -115.9 130.05 56.66 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 107.599 -1.26 . . . . 100.0 107.599 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.19 12.85 58.77 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-O 118.415 -1.214 . . . . 100.0 114.21 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.84 -46.46 89.18 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.72 1.26 . . . . 100.0 112.791 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -66.22 -47.71 72.96 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 123.029 0.532 . . . . 100.0 111.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -92.03 62.36 4.21 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 113.209 0.818 . . . . 100.0 113.209 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -147.14 155.69 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 107.03 -1.47 . . . . 100.0 107.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -72.85 149.71 43.3 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.237 -1.764 . . . . 100.0 106.237 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.39 -44.01 94.68 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 116.274 1.953 . . . . 100.0 116.274 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.86 -26.61 74.62 Favored 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.572 2.181 . . . . 100.0 115.076 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -109.58 123.42 49.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 119.02 0.827 . . . . 100.0 110.153 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.6 mt -114.63 119.98 38.6 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 122.149 0.976 . . . . 100.0 108.376 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.1 m-20 -62.95 -41.19 99.44 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 113.805 -1.543 . . . . 100.0 112.301 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 35.9 mmt -63.75 -41.83 97.95 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.397 0.518 . . . . 100.0 112.397 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -64.27 -43.46 94.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.893 1.071 . . . . 100.0 113.893 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.54 124.24 69.02 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 109.089 -0.708 . . . . 100.0 109.089 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.46 -41.3 91.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 125.306 1.442 . . . . 100.0 109.205 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -67.26 139.98 57.34 Favored 'General case' 0 CA--C 1.503 -0.85 0 C-N-CA 124.68 1.192 . . . . 100.0 110.665 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 53.57 42.23 31.95 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.473 1.909 . . . . 100.0 114.202 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 63' ' ' ASP . 25.1 m -81.38 129.83 34.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 105.388 -2.079 . . . . 100.0 105.388 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.548 0 CA-C-O 117.177 -1.392 . . . . 100.0 107.354 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 108.959 -1.656 . . . . 100.0 108.959 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.09 167.05 20.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.409 -0.96 . . . . 100.0 108.409 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 m -83.14 73.67 10.06 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 105.915 -1.883 . . . . 100.0 105.915 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.98 44.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.779 -1.934 . . . . 100.0 105.779 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.36 139.07 58.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.637 -0.71 . . . . 100.0 111.213 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.95 33.87 23.28 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.798 1.639 . . . . 100.0 113.413 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 65.4 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.669 1.988 . . . . 100.0 113.717 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.1 m -71.36 132.29 44.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.401 -0.962 . . . . 100.0 108.401 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.63 -0.09 57.54 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.825 1.25 . . . . 100.0 111.753 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.44 36.26 25.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 127.641 2.376 . . . . 100.0 113.223 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.24 8.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.248 -0.887 . . . . 100.0 110.508 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.92 12.75 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.853 1.797 . . . . 100.0 115.853 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.825 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-O 122.131 0.967 . . . . 100.0 112.133 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.5 m -166.32 177.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 127.258 2.223 . . . . 100.0 107.995 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.93 99.73 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 106.092 -1.818 . . . . 100.0 106.092 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.08 -174.19 3.49 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 124.91 1.284 . . . . 100.0 108.018 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.74 -43.18 98.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 120.343 3.46 . . . . 100.0 120.343 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.643 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 118.065 2.617 . . . . 100.0 118.065 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.401 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.7 p -71.91 167.7 19.52 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 126.847 2.059 . . . . 100.0 112.172 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.38 -39.2 86.42 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.491 1.117 . . . . 100.0 109.739 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.17 90.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.583 1.553 . . . . 100.0 109.388 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.83 36.2 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 125.133 1.373 . . . . 100.0 112.464 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m -58.63 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.514 0 CA-C-O 116.13 -1.891 . . . . 100.0 114.167 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.45 -35.53 90.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.732 2.011 . . . . 100.0 112.251 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.81 -39.34 90.8 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.194 1.398 . . . . 100.0 110.927 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.44 -9.95 57.81 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.533 1.533 . . . . 100.0 111.006 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.26 14.14 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.865 2.066 . . . . 100.0 107.949 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -40.4 95.57 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-N 114.212 -1.358 . . . . 100.0 110.878 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.04 -44.64 96.26 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.609 0.763 . . . . 100.0 109.759 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.97 -39.13 90.11 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.774 1.229 . . . . 100.0 112.181 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 71.28 11.8 6.75 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.171 2.188 . . . . 100.0 111.923 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -125.63 126.83 45.35 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 100.546 -3.872 . . . . 100.0 100.546 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -78.76 127.89 32.68 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 115.072 1.508 . . . . 100.0 115.072 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.355 1.616 0 C-N-CA 125.824 1.678 . . . . 100.0 111.841 -179.871 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt . . . . . 0 CA--C 1.48 -1.737 0 N-CA-C 105.734 -1.951 . . . . 100.0 105.734 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -42.89 86.23 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.297 -1.319 . . . . 100.0 110.248 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.23 -44.44 95.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 C-N-CA 124.61 1.164 . . . . 100.0 112.855 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.71 146.42 27.43 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 121.488 0.661 . . . . 100.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.5 128.33 43.33 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.989 -1.005 . . . . 100.0 111.065 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.9 m0 52.48 39.3 27.51 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.581 2.352 . . . . 100.0 114.519 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -64.1 -48.85 76.49 Favored Pre-proline 0 N--CA 1.437 -1.082 0 CA-C-O 117.209 -1.376 . . . . 100.0 111.687 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.43 -34.87 75.08 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 121.86 1.706 . . . . 100.0 111.373 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.1 mp0 -63.38 -40.07 96.25 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 124.164 0.915 . . . . 100.0 111.702 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.47 -43.32 97.65 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 110.095 -0.335 . . . . 100.0 110.095 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.19 -39.68 89.87 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 113.679 0.992 . . . . 100.0 113.679 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.91 129.19 38.41 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.504 0.927 . . . . 100.0 113.504 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -67.89 -42.52 81.09 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.302 1.041 . . . . 100.0 109.401 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.07 128.76 55.47 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.325 -1.361 . . . . 100.0 107.325 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.48 15.28 56.16 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.031 -1.427 . . . . 100.0 115.638 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.307 1.554 . . . . 100.0 112.951 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.97 -47.16 75.52 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 112.261 0.467 . . . . 100.0 112.261 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -91.48 60.85 4.2 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 113.095 0.776 . . . . 100.0 113.095 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -145.76 155.26 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 N-CA-C 107.027 -1.471 . . . . 100.0 107.027 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -73.75 153.91 39.81 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 107.734 -1.21 . . . . 100.0 107.734 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.27 -44.56 96.44 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 115.536 1.68 . . . . 100.0 115.536 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.45 -26.28 76.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.015 1.81 . . . . 100.0 115.797 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -111.07 123.99 51.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 118.865 0.757 . . . . 100.0 110.368 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -114.76 119.92 38.3 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.616 -1.253 . . . . 100.0 107.616 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.33 -41.03 98.23 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 125.585 1.554 . . . . 100.0 111.873 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.42 -45.06 95.89 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.493 1.117 . . . . 100.0 111.928 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.74 -42.38 86.31 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 115.609 1.707 . . . . 100.0 115.609 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -107.66 125.0 64.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 119.938 -0.705 . . . . 100.0 109.652 -176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.01 -43.73 97.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 125.732 1.613 . . . . 100.0 109.987 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.71 146.92 39.77 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 123.136 0.574 . . . . 100.0 111.315 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 55.17 39.99 31.61 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.063 1.745 . . . . 100.0 113.48 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.4 m -79.26 132.54 36.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.614 -1.995 . . . . 100.0 105.614 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--O 1.257 1.488 0 N-CA-C 107.585 -1.265 . . . . 100.0 107.585 179.791 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.015 -1.634 . . . . 100.0 109.015 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.03 166.99 21.01 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.366 -0.976 . . . . 100.0 108.366 179.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.11 73.7 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.944 -1.872 . . . . 100.0 105.944 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.58 157.94 44.46 Favored 'General case' 0 N--CA 1.431 -1.421 0 N-CA-C 105.809 -1.922 . . . . 100.0 105.809 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.407 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.05 58.73 Favored 'General case' 0 N--CA 1.439 -1.014 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.195 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.96 33.83 23.26 Favored 'General case' 0 N--CA 1.44 -0.925 0 C-N-CA 125.781 1.632 . . . . 100.0 113.459 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.8 p 50.02 48.92 21.25 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.694 1.998 . . . . 100.0 113.692 179.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.748 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.43 132.32 44.62 Favored 'General case' 0 N--CA 1.443 -0.815 0 N-CA-C 108.369 -0.974 . . . . 100.0 108.369 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.67 -0.11 57.54 Favored 'General case' 0 C--N 1.355 0.83 0 C-N-CA 124.848 1.259 . . . . 100.0 111.735 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.748 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.25 25.12 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 127.713 2.405 . . . . 100.0 113.168 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.18 8.89 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 115.3 -0.864 . . . . 100.0 110.504 178.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.25 52.83 12.83 Favored 'General case' 0 C--N 1.363 1.158 0 N-CA-C 115.855 1.798 . . . . 100.0 115.855 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.822 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.1 55.1 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.157 0.98 . . . . 100.0 112.127 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 100.0 m -166.32 177.62 6.7 Favored 'General case' 0 CA--C 1.503 -0.854 0 C-N-CA 127.235 2.214 . . . . 100.0 107.951 178.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.94 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.108 -1.812 . . . . 100.0 106.108 176.42 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.12 -174.23 3.5 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 124.889 1.275 . . . . 100.0 108.021 177.032 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.66 -43.24 97.85 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.316 3.451 . . . . 100.0 120.316 -176.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.645 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.35 -178.65 6.98 Favored 'General case' 0 C--N 1.351 0.647 0 N-CA-C 118.078 2.621 . . . . 100.0 118.078 -176.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.6 p -71.96 167.68 19.59 Favored 'General case' 0 C--N 1.362 1.137 0 C-N-CA 126.785 2.034 . . . . 100.0 112.107 -178.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 61.9 m-85 -60.31 -39.22 86.2 Favored 'General case' 0 C--N 1.363 1.165 0 C-N-CA 124.553 1.141 . . . . 100.0 109.764 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.407 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.57 -39.17 90.19 Favored 'General case' 0 C--N 1.353 0.749 0 C-N-CA 125.588 1.555 . . . . 100.0 109.38 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.24 8.95 35.88 Favored 'General case' 0 N--CA 1.437 -1.092 0 C-N-CA 125.102 1.361 . . . . 100.0 112.452 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.2 m -58.72 -44.93 99.58 Favored Pre-proline 0 C--N 1.371 1.54 0 CA-C-O 116.089 -1.91 . . . . 100.0 114.138 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -60.54 -35.46 90.11 Favored 'Trans proline' 0 C--N 1.378 2.115 0 CA-C-N 122.742 2.015 . . . . 100.0 112.221 178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.83 -39.34 90.75 Favored 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.168 1.387 . . . . 100.0 110.968 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.645 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.36 -9.93 57.62 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 125.557 1.543 . . . . 100.0 111.046 178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.75 39.24 14.32 Favored 'General case' 0 C--N 1.363 1.179 0 C-N-CA 126.89 2.076 . . . . 100.0 107.968 -176.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.38 95.65 Favored 'General case' 0 CA--C 1.488 -1.434 0 CA-C-N 114.214 -1.357 . . . . 100.0 110.959 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.1 -46.13 90.4 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.563 0.745 . . . . 100.0 109.791 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -66.68 -38.45 86.82 Favored 'General case' 0 N--CA 1.44 -0.97 0 N-CA-C 114.194 1.183 . . . . 100.0 114.194 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.272 78.2 m-85 68.08 18.95 9.37 Favored 'General case' 0 C--N 1.362 1.133 0 C-N-CA 126.351 1.86 . . . . 100.0 111.688 -174.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.0 ttp180 -118.98 125.51 49.57 Favored 'General case' 0 N--CA 1.432 -1.353 0 N-CA-C 100.383 -3.932 . . . . 100.0 100.383 179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -78.51 126.58 30.95 Favored 'General case' 0 N--CA 1.441 -0.889 0 CA-C-O 121.227 0.537 . . . . 100.0 110.995 -176.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.68 -41.96 99.76 Favored Glycine 0 C--N 1.354 1.581 0 C-N-CA 125.454 1.502 . . . . 100.0 114.089 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.402 19.5 p90 -75.68 160.73 29.76 Favored 'General case' 0 CA--C 1.495 -1.163 0 N-CA-C 112.783 0.66 . . . . 100.0 112.783 179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 71.1 m-85 70.24 82.4 0.16 Allowed 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 105.218 -2.141 . . . . 100.0 105.218 -176.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.4 tp -60.87 -44.94 96.37 Favored 'General case' 0 N--CA 1.442 -0.828 0 C-N-CA 125.408 1.483 . . . . 100.0 111.172 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 87.1 mt -90.32 94.5 9.77 Favored 'General case' 0 N--CA 1.431 -1.413 0 N-CA-C 107.329 -1.36 . . . . 100.0 107.329 -179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -106.43 112.53 25.58 Favored 'General case' 0 CA--C 1.477 -1.846 0 N-CA-C 105.254 -2.128 . . . . 100.0 105.254 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -70.03 -40.8 74.98 Favored 'General case' 0 N--CA 1.434 -1.246 0 CA-C-N 113.862 -1.517 . . . . 100.0 109.363 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -63.13 -45.4 92.16 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 125.053 1.341 . . . . 100.0 111.871 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -83.68 149.13 26.7 Favored 'General case' 0 CA--C 1.491 -1.295 0 CA-C-O 121.665 0.745 . . . . 100.0 111.546 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -93.29 125.36 37.85 Favored 'General case' 0 N--CA 1.43 -1.45 0 CA-C-N 114.554 -1.203 . . . . 100.0 112.746 -177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 m95 52.17 40.38 28.68 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 127.42 2.288 . . . . 100.0 112.606 178.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -62.63 -47.37 88.26 Favored Pre-proline 0 N--CA 1.439 -0.983 0 CA-C-O 117.094 -1.431 . . . . 100.0 113.644 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -60.8 -38.86 67.28 Favored 'Trans proline' 0 C--N 1.379 2.145 0 C-N-CA 122.191 1.927 . . . . 100.0 111.276 178.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.1 mp0 -64.07 -40.52 96.44 Favored 'General case' 0 N--CA 1.432 -1.355 0 O-C-N 124.625 1.203 . . . . 100.0 111.833 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.81 -44.23 96.7 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 122.89 0.476 . . . . 100.0 110.156 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 90.3 mt -66.27 -40.32 90.03 Favored 'General case' 0 N--CA 1.439 -0.982 0 N-CA-C 113.289 0.848 . . . . 100.0 113.289 179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 82.5 mt -66.74 128.62 36.98 Favored 'General case' 0 CA--C 1.498 -1.053 0 N-CA-C 113.001 0.741 . . . . 100.0 113.001 -178.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 91.5 m -66.87 -45.41 78.21 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.158 1.383 . . . . 100.0 109.32 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.1 m-20 -118.74 131.53 56.13 Favored 'General case' 0 CA--C 1.494 -1.191 0 N-CA-C 106.652 -1.61 . . . . 100.0 106.652 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.46 12.44 58.31 Favored Glycine 0 N--CA 1.435 -1.369 0 CA-C-O 118.235 -1.314 . . . . 100.0 113.705 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 56.1 mt-10 -60.41 -46.35 90.33 Favored 'General case' 0 C--N 1.359 0.983 0 CA-C-N 118.871 1.335 . . . . 100.0 113.429 -177.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -67.76 -46.21 72.72 Favored 'General case' 0 CA--C 1.501 -0.936 0 CA-C-N 118.023 0.374 . . . . 100.0 111.441 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.85 60.06 3.81 Favored 'General case' 0 N--CA 1.438 -1.053 0 N-CA-C 113.786 1.032 . . . . 100.0 113.786 -179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.59 153.62 11.88 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.885 0 N-CA-C 105.84 -1.911 . . . . 100.0 105.84 177.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 79.9 m-85 -74.85 156.3 36.6 Favored 'General case' 0 N--CA 1.44 -0.968 0 N-CA-C 107.919 -1.141 . . . . 100.0 107.919 178.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 -60.04 -44.36 96.44 Favored Pre-proline 0 C--N 1.353 0.735 0 N-CA-C 117.232 2.308 . . . . 100.0 117.232 -178.074 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -62.61 -24.98 75.22 Favored 'Trans proline' 0 C--N 1.374 1.891 0 C-N-CA 122.302 2.002 . . . . 100.0 115.87 179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -110.16 121.96 46.5 Favored 'General case' 0 CA--C 1.497 -1.089 0 CA-C-N 119.276 0.943 . . . . 100.0 109.295 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.0 mt -115.69 120.32 38.96 Favored 'General case' 0 CA--C 1.492 -1.261 0 CA-C-O 122.047 0.927 . . . . 100.0 108.556 178.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.35 -41.62 98.74 Favored 'General case' 0 N--CA 1.439 -1.017 0 C-N-CA 125.602 1.561 . . . . 100.0 111.594 -179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 86.5 mtp -61.38 -45.69 93.32 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 123.485 0.714 . . . . 100.0 112.488 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -66.34 -40.24 89.73 Favored 'General case' 0 N--CA 1.435 -1.225 0 N-CA-C 115.56 1.689 . . . . 100.0 115.56 -179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 42.9 t -105.48 121.18 57.33 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 108.246 -1.02 . . . . 100.0 108.246 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.84 -42.8 95.86 Favored 'Isoleucine or valine' 0 C--N 1.352 0.7 0 C-N-CA 125.237 1.415 . . . . 100.0 110.213 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -78.14 148.95 33.91 Favored 'General case' 0 N--CA 1.439 -1.017 0 CA-C-O 121.1 0.476 . . . . 100.0 111.258 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 54.1 42.04 31.75 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 125.877 1.671 . . . . 100.0 113.392 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 53.5 m -80.25 132.2 35.81 Favored 'General case' 0 N--CA 1.438 -1.039 0 N-CA-C 104.421 -2.437 . . . . 100.0 104.421 178.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 . . . . . 0 C--O 1.258 1.509 0 CA-C-O 117.523 -1.227 . . . . 100.0 107.762 179.774 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 108.961 -1.655 . . . . 100.0 108.961 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.12 167.04 20.88 Favored 'General case' 0 N--CA 1.439 -0.981 0 N-CA-C 108.36 -0.978 . . . . 100.0 108.36 179.223 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.2 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.935 0 N-CA-C 105.97 -1.863 . . . . 100.0 105.97 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.53 157.98 44.43 Favored 'General case' 0 N--CA 1.431 -1.411 0 N-CA-C 105.829 -1.915 . . . . 100.0 105.829 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.35 139.08 58.73 Favored 'General case' 0 N--CA 1.439 -1.007 0 CA-C-N 115.648 -0.705 . . . . 100.0 111.191 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.849 1.66 . . . . 100.0 113.441 -179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.6 p 50.02 48.85 21.36 Favored 'General case' 0 C--N 1.361 1.091 0 C-N-CA 126.656 1.983 . . . . 100.0 113.742 179.135 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.37 132.33 44.69 Favored 'General case' 0 N--CA 1.443 -0.792 0 N-CA-C 108.356 -0.979 . . . . 100.0 108.356 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.75 -0.02 57.52 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 124.795 1.238 . . . . 100.0 111.709 179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.29 25.24 Favored 'General case' 0 C--N 1.358 0.939 0 C-N-CA 127.666 2.386 . . . . 100.0 113.204 -179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.482 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.72 26.26 8.81 Favored 'General case' 0 N--CA 1.437 -1.094 0 CA-C-N 115.281 -0.872 . . . . 100.0 110.476 178.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.12 52.95 12.7 Favored 'General case' 0 C--N 1.362 1.12 0 N-CA-C 115.823 1.786 . . . . 100.0 115.823 179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.811 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.15 55.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.963 0 CA-C-O 122.152 0.977 . . . . 100.0 112.076 -179.455 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.0 m -166.39 177.63 6.65 Favored 'General case' 0 CA--C 1.502 -0.891 0 C-N-CA 127.303 2.241 . . . . 100.0 108.02 178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.91 99.74 Favored 'General case' 0 C--N 1.361 1.1 0 N-CA-C 106.064 -1.828 . . . . 100.0 106.064 176.444 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.14 -174.16 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.864 1.266 . . . . 100.0 107.992 177.024 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.68 -43.26 97.91 Favored 'General case' 0 N--CA 1.439 -1.02 0 N-CA-C 120.317 3.451 . . . . 100.0 120.317 -176.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.32 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 118.091 2.626 . . . . 100.0 118.091 -176.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.8 p -71.94 167.68 19.58 Favored 'General case' 0 C--N 1.362 1.15 0 C-N-CA 126.779 2.032 . . . . 100.0 112.171 -178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.51 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.35 -39.15 86.12 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 124.509 1.124 . . . . 100.0 109.757 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.59 -39.22 90.43 Favored 'General case' 0 N--CA 1.444 -0.773 0 C-N-CA 125.611 1.565 . . . . 100.0 109.376 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.19 8.92 35.88 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.078 1.351 . . . . 100.0 112.493 -178.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.609 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.9 m -58.63 -44.94 99.62 Favored Pre-proline 0 C--N 1.371 1.542 0 CA-C-O 116.141 -1.885 . . . . 100.0 114.181 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.55 -35.48 89.95 Favored 'Trans proline' 0 C--N 1.378 2.096 0 CA-C-N 122.744 2.016 . . . . 100.0 112.174 178.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.87 -39.38 90.63 Favored 'General case' 0 C--N 1.355 0.814 0 C-N-CA 125.183 1.393 . . . . 100.0 110.908 178.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 52.1 m -70.34 -9.96 57.64 Favored 'General case' 0 C--N 1.356 0.884 0 C-N-CA 125.531 1.532 . . . . 100.0 111.063 178.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.22 14.23 Favored 'General case' 0 C--N 1.364 1.21 0 C-N-CA 126.861 2.065 . . . . 100.0 107.952 -177.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.42 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.437 0 CA-C-N 114.207 -1.361 . . . . 100.0 110.951 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.19 -45.37 93.67 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.647 0.779 . . . . 100.0 109.683 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 68.1 tp60 -65.0 -38.77 92.05 Favored 'General case' 0 C--N 1.356 0.886 0 C-N-CA 128.312 2.645 . . . . 100.0 113.429 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.253 88.2 m-85 72.12 11.49 6.0 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 126.971 2.108 . . . . 100.0 114.516 -177.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.8 mtp180 -118.29 127.34 53.62 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 101.649 -3.463 . . . . 100.0 101.649 176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.56 HD21 ' HB2' ' A' ' 35' ' ' PHE . 49.8 t30 -82.89 122.08 27.78 Favored 'General case' 0 CA--C 1.492 -1.255 0 CA-C-O 121.123 0.487 . . . . 100.0 111.286 -177.018 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.55 -39.77 98.27 Favored Glycine 0 C--N 1.353 1.514 0 C-N-CA 126.264 1.888 . . . . 100.0 112.821 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.56 ' HB2' HD21 ' A' ' 33' ' ' ASN . 97.7 m-85 -70.98 160.75 32.32 Favored 'General case' 0 C--N 1.354 0.774 0 C-N-CA 125.187 1.395 . . . . 100.0 109.635 -179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 66.64 77.23 0.28 Allowed 'General case' 0 C--N 1.364 1.233 0 N-CA-C 106.041 -1.837 . . . . 100.0 106.041 -177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.2 mt -61.45 -46.26 90.83 Favored 'General case' 0 N--CA 1.442 -0.849 0 C-N-CA 124.25 1.02 . . . . 100.0 111.106 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 78.6 mt -93.92 99.9 12.16 Favored 'General case' 0 CA--C 1.491 -1.304 0 N-CA-C 106.614 -1.624 . . . . 100.0 106.614 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -108.95 117.67 34.81 Favored 'General case' 0 CA--C 1.482 -1.673 0 N-CA-C 105.962 -1.866 . . . . 100.0 105.962 179.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 86.8 t80 -67.99 -39.95 83.18 Favored 'General case' 0 N--CA 1.436 -1.162 0 CA-C-N 114.599 -1.182 . . . . 100.0 108.935 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 62.2 m-20 -61.34 -45.6 93.76 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.218 1.407 . . . . 100.0 112.06 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -86.31 148.45 25.61 Favored 'General case' 0 CA--C 1.494 -1.176 0 CA-C-O 121.612 0.72 . . . . 100.0 111.132 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -95.01 125.09 39.44 Favored 'General case' 0 N--CA 1.433 -1.304 0 CA-C-N 114.953 -1.021 . . . . 100.0 108.63 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.418 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.252 40.4 m0 52.79 39.11 28.19 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 115.97 1.841 . . . . 100.0 115.97 179.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.406 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 59.3 t80 -63.69 -48.27 80.4 Favored Pre-proline 0 N--CA 1.441 -0.922 0 CA-C-O 117.29 -1.338 . . . . 100.0 111.077 179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 32.1 Cg_endo -61.77 -37.87 64.33 Favored 'Trans proline' 0 C--N 1.383 2.376 0 C-N-CA 122.117 1.878 . . . . 100.0 112.127 177.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.418 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.9 mp0 -63.22 -41.15 99.08 Favored 'General case' 0 CA--C 1.494 -1.175 0 O-C-N 124.198 0.936 . . . . 100.0 111.724 179.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -63.0 -43.75 97.93 Favored 'General case' 0 C--N 1.358 0.969 0 O-C-N 123.265 0.353 . . . . 100.0 110.484 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.9 mt -64.15 -42.34 96.82 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 123.762 0.825 . . . . 100.0 112.517 179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.9 mt -70.51 128.23 35.43 Favored 'General case' 0 CA--C 1.497 -1.075 0 N-CA-C 113.827 1.047 . . . . 100.0 113.827 -178.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.8 m -66.76 -44.12 82.29 Favored 'General case' 0 N--CA 1.44 -0.949 0 C-N-CA 125.059 1.344 . . . . 100.0 108.42 178.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -117.02 130.14 56.48 Favored 'General case' 0 CA--C 1.495 -1.168 0 N-CA-C 107.67 -1.233 . . . . 100.0 107.67 -179.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -100.29 11.62 60.08 Favored Glycine 0 N--CA 1.436 -1.342 0 CA-C-O 118.16 -1.356 . . . . 100.0 114.869 -179.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' HG12 ' A' ' 57' ' ' VAL . 68.6 mm-40 -60.52 -44.04 96.46 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 115.487 1.662 . . . . 100.0 115.487 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -66.41 -46.41 76.65 Favored 'General case' 0 N--CA 1.442 -0.834 0 CA-C-N 118.419 0.554 . . . . 100.0 110.777 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -92.07 61.4 3.99 Favored 'General case' 0 N--CA 1.438 -1.049 0 N-CA-C 113.562 0.949 . . . . 100.0 113.562 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.4 p -145.88 156.05 12.67 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.841 0 N-CA-C 107.366 -1.346 . . . . 100.0 107.366 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -73.04 153.49 40.85 Favored 'General case' 0 N--CA 1.441 -0.9 0 N-CA-C 107.116 -1.438 . . . . 100.0 107.116 178.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -61.01 -43.71 92.04 Favored Pre-proline 0 C--N 1.354 0.773 0 N-CA-C 115.712 1.745 . . . . 100.0 115.712 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_exo -60.95 -31.14 91.15 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.294 1.996 . . . . 100.0 115.544 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -109.72 126.19 53.45 Favored 'General case' 0 CA--C 1.492 -1.263 0 CA-C-N 119.001 0.818 . . . . 100.0 111.476 -178.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 90.4 mt -113.55 120.85 42.4 Favored 'General case' 0 CA--C 1.496 -1.126 0 N-CA-C 107.328 -1.36 . . . . 100.0 107.328 178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.44 -42.34 99.39 Favored 'General case' 0 CA--C 1.495 -1.169 0 C-N-CA 125.23 1.412 . . . . 100.0 112.934 -178.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 71.4 mtm -63.44 -42.22 98.67 Favored 'General case' 0 CA--C 1.496 -1.111 0 N-CA-C 112.345 0.498 . . . . 100.0 112.345 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.9 mm-40 -64.26 -42.57 96.4 Favored 'General case' 0 N--CA 1.434 -1.257 0 N-CA-C 114.428 1.27 . . . . 100.0 114.428 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 47.1 t -109.06 123.37 64.89 Favored 'Isoleucine or valine' 0 C--N 1.358 0.961 0 N-CA-C 108.903 -0.777 . . . . 100.0 108.903 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 67.8 t -64.99 -42.21 94.14 Favored 'Isoleucine or valine' 0 C--N 1.353 0.738 0 C-N-CA 124.955 1.302 . . . . 100.0 109.792 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -71.9 144.12 49.1 Favored 'General case' 0 CA--C 1.5 -0.971 0 C-N-CA 124.017 0.927 . . . . 100.0 111.031 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 54.09 41.24 32.1 Favored 'General case' 0 C--N 1.355 0.826 0 C-N-CA 126.011 1.724 . . . . 100.0 113.966 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.2 m -81.73 131.03 35.25 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 178.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 . . . . . 0 C--O 1.257 1.489 0 N-CA-C 107.389 -1.338 . . . . 100.0 107.389 179.816 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.542 0 N-CA-C 108.988 -1.645 . . . . 100.0 108.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.02 166.99 21.01 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 108.393 -0.966 . . . . 100.0 108.393 179.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.13 73.74 10.05 Favored 'General case' 0 C--N 1.358 0.958 0 N-CA-C 105.973 -1.862 . . . . 100.0 105.973 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.99 44.39 Favored 'General case' 0 N--CA 1.43 -1.438 0 N-CA-C 105.77 -1.937 . . . . 100.0 105.77 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.413 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.37 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.04 0 CA-C-N 115.652 -0.704 . . . . 100.0 111.192 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.92 33.9 23.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 C-N-CA 125.808 1.643 . . . . 100.0 113.44 -179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 63.0 p 49.97 48.86 21.29 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.677 1.991 . . . . 100.0 113.76 179.166 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.763 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.5 m -71.35 132.34 44.71 Favored 'General case' 0 N--CA 1.444 -0.767 0 N-CA-C 108.362 -0.977 . . . . 100.0 108.362 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.71 -0.13 57.53 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 124.844 1.258 . . . . 100.0 111.687 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.763 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.52 36.22 25.1 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 127.666 2.386 . . . . 100.0 113.218 -179.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.473 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.076 0 CA-C-N 115.267 -0.879 . . . . 100.0 110.51 178.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.13 52.97 12.67 Favored 'General case' 0 C--N 1.361 1.101 0 N-CA-C 115.83 1.789 . . . . 100.0 115.83 179.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.798 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.957 0 CA-C-O 122.113 0.958 . . . . 100.0 112.133 -179.483 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.8 m -166.3 177.63 6.71 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 127.208 2.203 . . . . 100.0 107.967 178.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.15 -42.91 99.71 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.107 -1.812 . . . . 100.0 106.107 176.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.443 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.21 -174.2 3.47 Favored 'General case' 0 N--CA 1.437 -1.107 0 C-N-CA 124.875 1.27 . . . . 100.0 107.959 177.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.27 97.78 Favored 'General case' 0 N--CA 1.439 -1.016 0 N-CA-C 120.276 3.436 . . . . 100.0 120.276 -176.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.641 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 118.005 2.594 . . . . 100.0 118.005 -176.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 71.2 p -72.0 167.67 19.66 Favored 'General case' 0 C--N 1.363 1.162 0 C-N-CA 126.739 2.016 . . . . 100.0 112.169 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.512 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.31 -39.21 86.2 Favored 'General case' 0 C--N 1.362 1.123 0 C-N-CA 124.508 1.123 . . . . 100.0 109.77 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.413 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.12 90.03 Favored 'General case' 0 N--CA 1.443 -0.788 0 C-N-CA 125.574 1.549 . . . . 100.0 109.401 178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.29 8.94 36.01 Favored 'General case' 0 N--CA 1.437 -1.08 0 C-N-CA 125.104 1.361 . . . . 100.0 112.463 -178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.62 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.15 -1.881 . . . . 100.0 114.155 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -60.56 -35.44 90.09 Favored 'Trans proline' 0 C--N 1.378 2.124 0 CA-C-N 122.704 2.001 . . . . 100.0 112.208 178.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.89 -39.34 90.55 Favored 'General case' 0 C--N 1.355 0.817 0 C-N-CA 125.183 1.393 . . . . 100.0 110.911 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.641 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.38 -9.93 57.64 Favored 'General case' 0 C--N 1.357 0.929 0 C-N-CA 125.555 1.542 . . . . 100.0 111.028 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.5 m 61.78 39.26 14.2 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 126.899 2.079 . . . . 100.0 107.921 -177.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.45 -40.42 95.68 Favored 'General case' 0 CA--C 1.488 -1.426 0 CA-C-N 114.259 -1.337 . . . . 100.0 110.914 179.109 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.4 mt -62.07 -48.0 82.17 Favored 'General case' 0 N--CA 1.442 -0.861 0 C-N-CA 123.609 0.764 . . . . 100.0 109.755 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -64.2 -38.88 92.64 Favored 'General case' 0 N--CA 1.435 -1.177 0 C-N-CA 126.044 1.737 . . . . 100.0 113.147 -179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 90.1 m-85 70.9 10.99 7.07 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 126.496 1.919 . . . . 100.0 112.716 -176.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.495 HH21 ' HD1' ' A' ' 45' ' ' TYR . 72.7 mtp85 -114.99 122.97 47.88 Favored 'General case' 0 CA--C 1.495 -1.139 1 N-CA-C 98.23 -4.73 . . . . 100.0 98.23 177.473 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -81.81 128.15 33.71 Favored 'General case' 0 N--CA 1.431 -1.409 0 CA-C-N 116.085 -0.507 . . . . 100.0 109.697 -176.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -61.69 -41.79 99.65 Favored Glycine 0 C--N 1.354 1.552 0 C-N-CA 125.088 1.328 . . . . 100.0 113.007 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.365 22.8 p90 -77.28 163.55 26.38 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 112.872 0.693 . . . . 100.0 112.872 179.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 63.46 71.8 0.49 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 125.333 1.453 . . . . 100.0 107.825 -176.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.06 -45.66 92.15 Favored 'General case' 0 N--CA 1.439 -1.022 0 CA-C-N 113.537 -1.665 . . . . 100.0 112.531 -177.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 55.8 tp -93.49 97.52 10.59 Favored 'General case' 0 N--CA 1.433 -1.318 0 N-CA-C 104.484 -2.413 . . . . 100.0 104.484 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.485 ' HE2' ' HB2' ' A' ' 41' ' ' ASP . 88.2 tttt -115.14 117.43 30.51 Favored 'General case' 0 N--CA 1.428 -1.537 0 N-CA-C 105.604 -1.999 . . . . 100.0 105.604 -179.397 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -65.85 -37.66 86.76 Favored 'General case' 0 CA--C 1.493 -1.225 0 CA-C-N 114.397 -1.274 . . . . 100.0 113.704 179.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB2' ' HE2' ' A' ' 39' ' ' LYS . 82.1 m-20 -61.02 -44.78 96.91 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 124.321 1.048 . . . . 100.0 110.588 -179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -85.95 147.1 26.39 Favored 'General case' 0 CA--C 1.497 -1.075 0 CA-C-O 121.358 0.599 . . . . 100.0 110.162 178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -96.84 127.38 42.76 Favored 'General case' 0 N--CA 1.434 -1.235 0 CA-C-N 115.398 -0.819 . . . . 100.0 111.038 -178.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 84.2 m95 53.85 37.48 26.55 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 127.626 2.37 . . . . 100.0 112.301 178.168 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' HD1' HH21 ' A' ' 32' ' ' ARG . 41.4 t80 -63.65 -47.87 81.43 Favored Pre-proline 0 C--N 1.359 1.007 0 CA-C-O 117.215 -1.374 . . . . 100.0 113.724 -178.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -62.17 -36.67 68.0 Favored 'Trans proline' 0 C--N 1.378 2.129 0 C-N-CA 121.913 1.742 . . . . 100.0 111.776 177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 mp0 -64.52 -39.8 94.45 Favored 'General case' 0 N--CA 1.435 -1.182 0 C-N-CA 124.049 0.94 . . . . 100.0 111.738 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -62.76 -45.2 93.78 Favored 'General case' 0 C--N 1.361 1.066 0 C-N-CA 122.857 0.463 . . . . 100.0 109.783 178.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 94.7 mt -64.44 -42.02 96.24 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 113.075 0.769 . . . . 100.0 113.075 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 84.2 mt -73.48 126.84 31.14 Favored 'General case' 0 CA--C 1.496 -1.106 0 CA-C-O 122.119 0.961 . . . . 100.0 113.362 -178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 89.0 m -66.68 -43.35 84.67 Favored 'General case' 0 N--CA 1.439 -0.987 0 C-N-CA 125.252 1.421 . . . . 100.0 109.885 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -113.9 128.68 56.5 Favored 'General case' 0 CA--C 1.497 -1.094 0 N-CA-C 106.813 -1.551 . . . . 100.0 106.813 -179.271 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.01 10.4 56.99 Favored Glycine 0 C--N 1.351 1.374 0 CA-C-O 118.521 -1.155 . . . . 100.0 113.995 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.401 ' O ' HG12 ' A' ' 57' ' ' VAL . 86.8 tt0 -60.55 -46.35 90.53 Favored 'General case' 0 C--N 1.358 0.968 0 CA-C-N 118.658 1.229 . . . . 100.0 112.97 -177.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.6 m-20 -66.27 -47.85 72.34 Favored 'General case' 0 N--CA 1.442 -0.845 0 C-N-CA 122.827 0.451 . . . . 100.0 111.395 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.0 m-20 -92.82 64.36 4.02 Favored 'General case' 0 N--CA 1.437 -1.123 0 N-CA-C 113.669 0.988 . . . . 100.0 113.669 -179.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.9 p -148.29 155.77 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.058 0 N-CA-C 106.981 -1.489 . . . . 100.0 106.981 177.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -72.03 152.76 42.19 Favored 'General case' 0 N--CA 1.441 -0.909 0 C-N-CA 125.437 1.495 . . . . 100.0 107.166 178.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 -61.24 -44.57 93.84 Favored Pre-proline 0 C--N 1.353 0.724 0 CA-C-O 116.927 -1.511 . . . . 100.0 115.046 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -64.49 -23.5 64.53 Favored 'Trans proline' 0 C--N 1.377 2.05 0 C-N-CA 122.458 2.105 . . . . 100.0 115.747 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -108.26 120.22 41.74 Favored 'General case' 0 CA--C 1.495 -1.165 0 CA-C-N 119.303 0.956 . . . . 100.0 108.592 -178.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 82.6 mt -116.85 119.43 35.38 Favored 'General case' 0 CA--C 1.494 -1.193 0 CA-C-O 121.938 0.875 . . . . 100.0 108.735 179.174 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.405 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.7 m-20 -62.95 -41.75 99.6 Favored 'General case' 0 CA--C 1.495 -1.146 0 C-N-CA 125.432 1.493 . . . . 100.0 111.827 -179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.8 mtp -62.09 -44.67 96.15 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 124.108 0.963 . . . . 100.0 111.768 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.92 -42.65 94.51 Favored 'General case' 0 CA--C 1.494 -1.196 0 N-CA-C 115.248 1.573 . . . . 100.0 115.248 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.6 t -108.61 123.63 64.48 Favored 'Isoleucine or valine' 0 C--N 1.358 0.946 0 N-CA-C 108.885 -0.783 . . . . 100.0 108.885 -177.154 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 83.1 t -64.01 -43.99 97.72 Favored 'Isoleucine or valine' 0 C--N 1.352 0.698 0 C-N-CA 125.238 1.415 . . . . 100.0 109.824 179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -75.03 146.88 41.19 Favored 'General case' 0 CA--C 1.495 -1.139 0 CA-C-O 121.213 0.53 . . . . 100.0 112.121 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 54.01 42.35 31.68 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 126.144 1.778 . . . . 100.0 113.71 179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.405 HG23 ' HB3' ' A' ' 63' ' ' ASP . 45.1 m -81.95 130.89 35.21 Favored 'General case' 0 N--CA 1.438 -1.043 0 N-CA-C 105.436 -2.061 . . . . 100.0 105.436 179.026 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 . . . . . 0 C--O 1.258 1.501 0 CA-C-O 117.246 -1.359 . . . . 100.0 108.95 179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.557 0 N-CA-C 108.977 -1.649 . . . . 100.0 108.977 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 166.97 21.0 Favored 'General case' 0 N--CA 1.44 -0.966 0 N-CA-C 108.37 -0.974 . . . . 100.0 108.37 179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.9 m -83.12 73.67 10.05 Favored 'General case' 0 C--N 1.358 0.953 0 N-CA-C 105.984 -1.858 . . . . 100.0 105.984 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.59 157.97 44.43 Favored 'General case' 0 N--CA 1.431 -1.379 0 N-CA-C 105.806 -1.924 . . . . 100.0 105.806 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.418 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.31 139.09 58.74 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.625 -0.716 . . . . 100.0 111.143 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.952 0 C-N-CA 125.841 1.656 . . . . 100.0 113.424 -179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.2 p 49.99 48.88 21.27 Favored 'General case' 0 C--N 1.361 1.077 0 C-N-CA 126.644 1.977 . . . . 100.0 113.716 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.743 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.6 m -71.4 132.36 44.7 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 108.347 -0.983 . . . . 100.0 108.347 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.69 -0.15 57.54 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 124.871 1.268 . . . . 100.0 111.675 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.743 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.51 36.26 25.14 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 127.708 2.403 . . . . 100.0 113.17 -179.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.47 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.68 26.25 8.84 Favored 'General case' 0 N--CA 1.437 -1.095 0 CA-C-N 115.33 -0.85 . . . . 100.0 110.496 178.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.96 12.67 Favored 'General case' 0 C--N 1.362 1.11 0 N-CA-C 115.807 1.78 . . . . 100.0 115.807 179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.793 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.15 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.985 0 CA-C-O 122.092 0.949 . . . . 100.0 112.117 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.3 m -166.36 177.62 6.68 Favored 'General case' 0 CA--C 1.502 -0.9 0 C-N-CA 127.28 2.232 . . . . 100.0 107.965 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.94 99.74 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 106.065 -1.828 . . . . 100.0 106.065 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.435 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.16 -174.17 3.47 Favored 'General case' 0 N--CA 1.437 -1.096 0 C-N-CA 124.84 1.256 . . . . 100.0 108.017 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.0 p -60.71 -43.22 98.1 Favored 'General case' 0 N--CA 1.439 -0.999 0 N-CA-C 120.284 3.439 . . . . 100.0 120.284 -176.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.642 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.34 -178.64 6.98 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 118.073 2.62 . . . . 100.0 118.073 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.404 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.1 p -71.95 167.66 19.63 Favored 'General case' 0 C--N 1.362 1.11 0 C-N-CA 126.804 2.042 . . . . 100.0 112.158 -178.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.0 m-85 -60.34 -39.19 86.21 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.519 1.128 . . . . 100.0 109.755 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.7 mt-10 -61.57 -39.19 90.26 Favored 'General case' 0 N--CA 1.443 -0.8 0 C-N-CA 125.627 1.571 . . . . 100.0 109.378 178.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.27 9.0 35.75 Favored 'General case' 0 N--CA 1.438 -1.061 0 C-N-CA 125.08 1.352 . . . . 100.0 112.446 -178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.621 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.69 -44.99 99.65 Favored Pre-proline 0 C--N 1.371 1.539 0 CA-C-O 116.109 -1.901 . . . . 100.0 114.12 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -60.48 -35.52 90.13 Favored 'Trans proline' 0 C--N 1.378 2.102 0 CA-C-N 122.771 2.025 . . . . 100.0 112.202 178.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -65.78 -39.44 90.98 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.255 1.422 . . . . 100.0 110.886 178.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.901 0 C-N-CA 125.587 1.555 . . . . 100.0 111.037 178.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.78 39.19 14.27 Favored 'General case' 0 C--N 1.364 1.22 0 C-N-CA 126.837 2.055 . . . . 100.0 107.947 -176.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.435 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.41 -40.34 95.58 Favored 'General case' 0 CA--C 1.488 -1.413 0 CA-C-N 114.269 -1.332 . . . . 100.0 110.955 179.095 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.9 mt -62.17 -47.3 85.14 Favored 'General case' 0 N--CA 1.442 -0.829 0 C-N-CA 123.609 0.764 . . . . 100.0 109.708 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -67.32 -38.08 84.35 Favored 'General case' 0 N--CA 1.435 -1.199 0 C-N-CA 124.81 1.244 . . . . 100.0 114.235 179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.28 77.9 m-85 68.54 16.98 9.09 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 126.024 1.73 . . . . 100.0 112.441 -175.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.8 ttp180 -116.67 123.0 46.19 Favored 'General case' 0 N--CA 1.434 -1.274 1 N-CA-C 100.113 -4.032 . . . . 100.0 100.113 178.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 29.2 m120 -85.57 126.71 34.09 Favored 'General case' 0 CA--C 1.483 -1.603 0 C-N-CA 119.094 -1.042 . . . . 100.0 112.634 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.27 -40.45 99.03 Favored Glycine 0 C--N 1.352 1.464 0 CA-C-N 113.382 -1.736 . . . . 100.0 111.55 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.6 p90 -73.26 163.6 27.87 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 124.126 0.97 . . . . 100.0 112.192 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 58.8 t80 60.97 69.85 0.65 Allowed 'General case' 0 C--N 1.361 1.079 0 N-CA-C 105.784 -1.932 . . . . 100.0 105.784 -178.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.2 mt -59.48 -43.51 93.27 Favored 'General case' 0 CA--C 1.498 -1.053 0 CA-C-N 113.478 -1.692 . . . . 100.0 112.025 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 89.2 mt -83.57 79.88 9.29 Favored 'General case' 0 N--CA 1.435 -1.184 0 CA-C-O 121.154 0.502 . . . . 100.0 109.773 -179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -94.55 110.31 22.13 Favored 'General case' 0 CA--C 1.488 -1.407 0 N-CA-C 104.582 -2.377 . . . . 100.0 104.582 178.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -66.67 -39.2 88.05 Favored 'General case' 0 N--CA 1.435 -1.177 0 CA-C-N 114.959 -1.019 . . . . 100.0 113.053 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -62.82 -43.65 98.24 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 123.959 0.904 . . . . 100.0 110.832 179.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -77.44 145.81 36.9 Favored 'General case' 0 C--N 1.359 0.982 0 C-N-CA 123.868 0.867 . . . . 100.0 108.888 179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.0 tt0 -101.41 124.91 47.85 Favored 'General case' 0 N--CA 1.434 -1.234 0 N-CA-C 107.811 -1.181 . . . . 100.0 107.811 -179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HB3' ' HB2' ' A' ' 47' ' ' GLU 0.312 44.0 m0 53.32 40.42 31.29 Favored 'General case' 0 N--CA 1.438 -1.057 0 C-N-CA 127.125 2.17 . . . . 100.0 116.199 -179.405 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.88 -46.15 81.37 Favored Pre-proline 0 C--N 1.36 1.033 0 CA-C-O 117.361 -1.304 . . . . 100.0 110.15 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 40.0 Cg_exo -60.87 -39.14 64.32 Favored 'Trans proline' 0 C--N 1.386 2.528 0 C-N-CA 122.55 2.166 . . . . 100.0 111.385 178.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.505 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.6 mp0 -63.33 -41.15 98.88 Favored 'General case' 0 CA--C 1.491 -1.313 0 O-C-N 124.327 1.017 . . . . 100.0 111.853 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -63.29 -43.96 96.42 Favored 'General case' 0 C--N 1.36 1.051 0 O-C-N 123.249 0.343 . . . . 100.0 110.65 178.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 88.7 mt -66.56 -40.04 88.81 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.931 1.086 . . . . 100.0 113.931 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 83.9 mt -68.07 128.59 37.11 Favored 'General case' 0 C--N 1.359 0.996 0 C-N-CA 123.418 0.687 . . . . 100.0 111.745 -179.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.5 m -66.41 -44.05 84.06 Favored 'General case' 0 N--CA 1.443 -0.792 0 C-N-CA 124.723 1.209 . . . . 100.0 109.928 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -121.65 133.17 54.97 Favored 'General case' 0 N--CA 1.435 -1.221 0 N-CA-C 106.485 -1.672 . . . . 100.0 106.485 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.9 13.81 57.52 Favored Glycine 0 N--CA 1.435 -1.415 0 CA-C-O 117.567 -1.685 . . . . 100.0 116.422 -178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.445 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.5 tt0 -60.8 -44.18 97.19 Favored 'General case' 0 C--N 1.359 1.003 0 CA-C-N 119.919 1.86 . . . . 100.0 113.417 -178.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 m-20 -65.04 -47.15 78.38 Favored 'General case' 0 C--N 1.353 0.758 0 CA-C-N 118.114 0.416 . . . . 100.0 111.328 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -92.22 61.48 3.92 Favored 'General case' 0 N--CA 1.437 -1.08 0 N-CA-C 112.379 0.511 . . . . 100.0 112.379 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.445 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.3 p -144.15 154.99 15.35 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.012 0 N-CA-C 106.584 -1.636 . . . . 100.0 106.584 177.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -73.04 151.98 41.48 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 106.149 -1.797 . . . . 100.0 106.149 178.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -61.54 -43.84 90.04 Favored Pre-proline 0 C--N 1.354 0.799 0 N-CA-C 115.784 1.772 . . . . 100.0 115.784 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -61.54 -30.38 86.14 Favored 'Trans proline' 0 C--N 1.377 2.039 0 C-N-CA 122.431 2.087 . . . . 100.0 115.817 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 57.7 m-20 -113.21 126.24 55.21 Favored 'General case' 0 CA--C 1.488 -1.427 0 CA-C-N 119.369 0.986 . . . . 100.0 111.176 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.4 mt -113.59 123.61 50.37 Favored 'General case' 0 N--CA 1.433 -1.319 0 N-CA-C 108.418 -0.956 . . . . 100.0 108.418 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -62.59 -40.04 95.63 Favored 'General case' 0 CA--C 1.496 -1.101 0 C-N-CA 125.479 1.511 . . . . 100.0 111.918 -179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 72.7 mtm -61.99 -44.28 97.06 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.552 0.741 . . . . 100.0 110.963 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -64.91 -43.09 93.96 Favored 'General case' 0 CA--C 1.493 -1.218 0 N-CA-C 115.074 1.509 . . . . 100.0 115.074 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 41.0 t -108.69 122.74 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.984 0 N-CA-C 108.437 -0.949 . . . . 100.0 108.437 -176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 84.8 t -66.15 -41.17 88.87 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.76 0 C-N-CA 125.093 1.357 . . . . 100.0 108.562 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -73.07 142.85 47.61 Favored 'General case' 0 CA--C 1.498 -1.046 0 C-N-CA 123.718 0.807 . . . . 100.0 110.886 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 53.82 42.22 31.82 Favored 'General case' 0 N--CA 1.444 -0.762 0 C-N-CA 125.521 1.528 . . . . 100.0 113.982 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -76.16 131.84 39.62 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 104.147 -2.538 . . . . 100.0 104.147 178.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 . . . . . 0 C--O 1.258 1.534 0 N-CA-C 107.23 -1.396 . . . . 100.0 107.23 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.554 0 N-CA-C 109.011 -1.636 . . . . 100.0 109.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.7 t -80.08 166.98 20.98 Favored 'General case' 0 N--CA 1.44 -0.951 0 N-CA-C 108.358 -0.978 . . . . 100.0 108.358 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.0 m -83.1 73.72 10.05 Favored 'General case' 0 C--N 1.358 0.936 0 N-CA-C 105.977 -1.86 . . . . 100.0 105.977 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.98 44.42 Favored 'General case' 0 N--CA 1.43 -1.446 0 N-CA-C 105.814 -1.921 . . . . 100.0 105.814 179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.29 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.054 0 CA-C-N 115.692 -0.686 . . . . 100.0 111.209 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.93 23.34 Favored 'General case' 0 N--CA 1.441 -0.908 0 C-N-CA 125.835 1.654 . . . . 100.0 113.414 -179.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.1 p 49.99 48.84 21.34 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.629 1.972 . . . . 100.0 113.76 179.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.752 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.01 57.52 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 124.803 1.241 . . . . 100.0 111.72 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.752 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.36 36.28 25.38 Favored 'General case' 0 C--N 1.356 0.874 0 C-N-CA 127.665 2.386 . . . . 100.0 113.26 -179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.471 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.66 26.22 8.85 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.266 -0.879 . . . . 100.0 110.457 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.15 52.94 12.72 Favored 'General case' 0 C--N 1.361 1.098 0 N-CA-C 115.856 1.799 . . . . 100.0 115.856 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.834 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.12 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.918 0 CA-C-O 122.143 0.973 . . . . 100.0 112.118 -179.47 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.9 m -166.34 177.58 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.244 2.218 . . . . 100.0 107.942 178.379 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.07 -42.99 99.77 Favored 'General case' 0 C--N 1.361 1.094 0 N-CA-C 106.093 -1.818 . . . . 100.0 106.093 176.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.4 m-70 -93.13 -174.22 3.49 Favored 'General case' 0 N--CA 1.437 -1.105 0 C-N-CA 124.894 1.278 . . . . 100.0 108.025 177.063 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.8 p -60.66 -43.23 97.87 Favored 'General case' 0 N--CA 1.438 -1.04 0 N-CA-C 120.298 3.444 . . . . 100.0 120.298 -176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.37 -178.7 6.99 Favored 'General case' 0 N--CA 1.446 -0.63 0 N-CA-C 118.043 2.609 . . . . 100.0 118.043 -176.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.4 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.4 p -71.92 167.63 19.67 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.815 2.046 . . . . 100.0 112.136 -178.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.505 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.23 86.13 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.513 1.125 . . . . 100.0 109.785 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.58 -39.13 90.08 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.561 1.544 . . . . 100.0 109.384 178.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.23 8.93 35.95 Favored 'General case' 0 N--CA 1.438 -1.047 0 C-N-CA 125.122 1.369 . . . . 100.0 112.433 -178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.611 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.5 m -58.73 -44.9 99.54 Favored Pre-proline 0 C--N 1.371 1.532 0 CA-C-O 116.131 -1.89 . . . . 100.0 114.15 -179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.6 -35.4 89.99 Favored 'Trans proline' 0 C--N 1.378 2.13 0 CA-C-N 122.729 2.01 . . . . 100.0 112.218 178.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.86 -39.4 90.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 125.233 1.413 . . . . 100.0 110.882 178.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.41 -9.91 57.64 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 125.57 1.548 . . . . 100.0 111.023 178.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m 61.81 39.18 14.18 Favored 'General case' 0 C--N 1.364 1.238 0 C-N-CA 126.851 2.06 . . . . 100.0 107.934 -177.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.446 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.44 -40.37 95.6 Favored 'General case' 0 CA--C 1.488 -1.428 0 CA-C-N 114.27 -1.332 . . . . 100.0 110.946 179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.14 -45.67 92.39 Favored 'General case' 0 N--CA 1.442 -0.83 0 C-N-CA 123.606 0.762 . . . . 100.0 109.741 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 69.0 mt-30 -65.2 -39.26 92.59 Favored 'General case' 0 N--CA 1.442 -0.835 0 C-N-CA 127.096 2.158 . . . . 100.0 114.222 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 72.71 9.59 5.58 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 126.645 1.978 . . . . 100.0 113.858 -176.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.5 ttt180 -113.83 124.85 53.24 Favored 'General case' 0 N--CA 1.439 -1.0 1 N-CA-C 99.874 -4.121 . . . . 100.0 99.874 177.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 54.4 t-20 -96.94 120.25 36.93 Favored 'General case' 0 CA--C 1.495 -1.163 0 C-N-CA 117.77 -1.572 . . . . 100.0 109.457 -176.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.52 -39.98 98.24 Favored Glycine 0 C--N 1.352 1.46 0 C-N-CA 125.874 1.702 . . . . 100.0 113.512 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -73.1 164.35 26.82 Favored 'General case' 0 CA--C 1.506 -0.749 0 C-N-CA 126.684 1.993 . . . . 100.0 110.127 -179.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 60.73 71.65 0.56 Allowed 'General case' 0 C--N 1.366 1.306 0 C-N-CA 124.716 1.206 . . . . 100.0 107.751 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 98.0 mt -59.46 -44.97 92.88 Favored 'General case' 0 N--CA 1.438 -1.055 0 CA-C-N 113.699 -1.591 . . . . 100.0 110.516 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 73.9 mt -88.43 90.11 8.26 Favored 'General case' 0 N--CA 1.432 -1.338 0 N-CA-C 108.765 -0.828 . . . . 100.0 108.765 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -103.93 115.0 29.66 Favored 'General case' 0 CA--C 1.481 -1.704 0 N-CA-C 103.984 -2.599 . . . . 100.0 103.984 177.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -66.14 -38.91 89.3 Favored 'General case' 0 N--CA 1.435 -1.211 0 CA-C-N 114.094 -1.412 . . . . 100.0 112.833 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 56.5 m-20 -62.09 -43.79 98.08 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 124.09 0.956 . . . . 100.0 110.979 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -81.64 146.66 29.95 Favored 'General case' 0 CA--C 1.496 -1.097 0 CA-C-O 121.189 0.518 . . . . 100.0 110.549 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -97.7 124.18 41.92 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 108.952 -0.759 . . . . 100.0 108.952 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 44.4 m0 52.93 41.33 31.98 Favored 'General case' 0 C--N 1.354 0.793 0 C-N-CA 127.287 2.235 . . . . 100.0 112.91 178.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.428 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 41.6 t80 -62.89 -46.83 87.73 Favored Pre-proline 0 C--N 1.358 0.954 0 CA-C-O 117.188 -1.387 . . . . 100.0 111.553 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 44.8 Cg_endo -61.71 -37.13 70.6 Favored 'Trans proline' 0 C--N 1.383 2.351 0 C-N-CA 122.228 1.952 . . . . 100.0 111.849 177.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -65.2 -39.28 92.59 Favored 'General case' 0 N--CA 1.436 -1.152 0 O-C-N 124.299 0.999 . . . . 100.0 111.101 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -61.77 -44.97 95.83 Favored 'General case' 0 C--N 1.357 0.922 0 C-N-CA 124.121 0.968 . . . . 100.0 108.832 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 91.2 mt -65.6 -42.1 92.05 Favored 'General case' 0 N--CA 1.44 -0.929 0 C-N-CA 124.054 0.942 . . . . 100.0 113.154 179.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -71.22 130.62 41.91 Favored 'General case' 0 CA--C 1.497 -1.084 0 N-CA-C 114.077 1.14 . . . . 100.0 114.077 -178.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 87.7 m -65.62 -44.17 87.34 Favored 'General case' 0 N--CA 1.44 -0.972 0 C-N-CA 125.378 1.471 . . . . 100.0 109.617 179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -113.83 128.51 56.44 Favored 'General case' 0 CA--C 1.495 -1.15 0 N-CA-C 108.114 -1.069 . . . . 100.0 108.114 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.55 12.47 58.19 Favored Glycine 0 C--N 1.351 1.373 0 CA-C-O 118.945 -0.919 . . . . 100.0 112.5 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.436 ' O ' HG12 ' A' ' 57' ' ' VAL . 96.7 mt-10 -59.94 -46.76 88.36 Favored 'General case' 0 C--N 1.357 0.908 0 C-N-CA 125.308 1.443 . . . . 100.0 112.652 -177.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -68.61 -46.79 68.34 Favored 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 122.276 0.231 . . . . 100.0 111.432 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 59.9 m-20 -91.75 62.78 4.48 Favored 'General case' 0 N--CA 1.438 -1.07 0 CA-C-O 121.358 0.599 . . . . 100.0 112.077 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.9 p -145.59 154.8 13.33 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.039 0 N-CA-C 106.832 -1.544 . . . . 100.0 106.832 178.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -71.63 149.24 45.78 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.626 -1.99 . . . . 100.0 105.626 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.9 m-20 -61.49 -42.72 85.94 Favored Pre-proline 0 C--N 1.354 0.781 0 CA-C-O 116.942 -1.504 . . . . 100.0 114.574 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -60.49 -32.21 93.4 Favored 'Trans proline' 0 C--N 1.378 2.099 0 C-N-CA 122.256 1.971 . . . . 100.0 115.617 179.651 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -108.15 126.25 52.56 Favored 'General case' 0 CA--C 1.491 -1.322 0 CA-C-N 119.206 0.912 . . . . 100.0 110.793 -178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.2 mt -113.19 117.69 32.61 Favored 'General case' 0 N--CA 1.434 -1.243 0 N-CA-C 106.797 -1.557 . . . . 100.0 106.797 179.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.476 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.8 m-20 -63.02 -41.32 99.52 Favored 'General case' 0 CA--C 1.494 -1.184 0 C-N-CA 125.789 1.636 . . . . 100.0 112.727 -178.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 38.1 mmt -63.17 -43.95 96.83 Favored 'General case' 0 CA--C 1.499 -1.014 0 N-CA-C 112.333 0.494 . . . . 100.0 112.333 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.4 mt-10 -66.14 -41.08 90.93 Favored 'General case' 0 N--CA 1.437 -1.125 0 N-CA-C 115.11 1.522 . . . . 100.0 115.11 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -105.29 122.1 58.16 Favored 'Isoleucine or valine' 0 C--N 1.358 0.954 0 N-CA-C 108.585 -0.894 . . . . 100.0 108.585 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.22 -42.85 96.76 Favored 'Isoleucine or valine' 0 C--N 1.354 0.786 0 C-N-CA 125.155 1.382 . . . . 100.0 110.24 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.0 m-85 -74.18 143.67 45.13 Favored 'General case' 0 CA--C 1.5 -0.965 0 N-CA-C 112.6 0.593 . . . . 100.0 112.6 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 52.95 41.87 32.1 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 126.672 1.989 . . . . 100.0 113.454 -179.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.476 HG23 ' HB3' ' A' ' 63' ' ' ASP . 22.5 m -81.21 131.4 35.29 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 105.23 -2.137 . . . . 100.0 105.23 179.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.4 mt-30 . . . . . 0 C--O 1.259 1.562 0 CA-C-O 117.567 -1.206 . . . . 100.0 108.111 179.862 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.498 0 N-CA-C 109.003 -1.639 . . . . 100.0 109.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.01 167.01 20.99 Favored 'General case' 0 N--CA 1.44 -0.938 0 N-CA-C 108.383 -0.969 . . . . 100.0 108.383 179.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 m -83.14 73.7 10.06 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 105.99 -1.855 . . . . 100.0 105.99 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.97 44.42 Favored 'General case' 0 N--CA 1.431 -1.395 0 N-CA-C 105.794 -1.928 . . . . 100.0 105.794 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.419 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.34 139.11 58.74 Favored 'General case' 0 N--CA 1.438 -1.027 0 CA-C-N 115.649 -0.705 . . . . 100.0 111.153 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.9 33.9 23.32 Favored 'General case' 0 N--CA 1.44 -0.931 0 C-N-CA 125.813 1.645 . . . . 100.0 113.415 -179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.254 64.9 p 49.98 48.92 21.21 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.723 2.009 . . . . 100.0 113.687 179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.762 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.38 132.34 44.69 Favored 'General case' 0 N--CA 1.443 -0.796 0 N-CA-C 108.378 -0.971 . . . . 100.0 108.378 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.04 57.52 Favored 'General case' 0 C--N 1.354 0.794 0 C-N-CA 124.827 1.251 . . . . 100.0 111.757 179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.762 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.42 36.25 25.28 Favored 'General case' 0 C--N 1.356 0.89 0 C-N-CA 127.675 2.39 . . . . 100.0 113.223 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.466 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.24 8.86 Favored 'General case' 0 N--CA 1.437 -1.101 0 CA-C-N 115.273 -0.876 . . . . 100.0 110.472 178.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.89 12.79 Favored 'General case' 0 C--N 1.361 1.108 0 N-CA-C 115.842 1.793 . . . . 100.0 115.842 179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.81 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.03 120.05 55.01 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.972 0 CA-C-O 122.121 0.962 . . . . 100.0 112.111 -179.434 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 23' ' ' CYS . 98.8 m -166.29 177.62 6.73 Favored 'General case' 0 CA--C 1.503 -0.856 0 C-N-CA 127.288 2.235 . . . . 100.0 108.005 178.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -42.98 99.77 Favored 'General case' 0 C--N 1.361 1.099 0 N-CA-C 106.084 -1.821 . . . . 100.0 106.084 176.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.17 3.48 Favored 'General case' 0 N--CA 1.436 -1.164 0 C-N-CA 124.911 1.285 . . . . 100.0 108.056 177.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.7 -43.18 98.11 Favored 'General case' 0 N--CA 1.439 -1.015 0 N-CA-C 120.354 3.464 . . . . 100.0 120.354 -176.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.65 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.42 -178.62 6.96 Favored 'General case' 0 N--CA 1.446 -0.631 0 N-CA-C 118.061 2.615 . . . . 100.0 118.061 -176.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.2 p -72.0 167.68 19.63 Favored 'General case' 0 C--N 1.362 1.142 0 C-N-CA 126.769 2.028 . . . . 100.0 112.147 -178.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.511 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.24 -39.31 86.28 Favored 'General case' 0 C--N 1.362 1.132 0 C-N-CA 124.58 1.152 . . . . 100.0 109.754 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.419 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.48 -39.25 90.27 Favored 'General case' 0 N--CA 1.443 -0.785 0 C-N-CA 125.628 1.571 . . . . 100.0 109.385 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.87 36.05 Favored 'General case' 0 N--CA 1.438 -1.064 0 C-N-CA 125.138 1.375 . . . . 100.0 112.479 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.668 ' HG ' ' HG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.97 99.63 Favored Pre-proline 0 C--N 1.371 1.509 0 CA-C-O 116.129 -1.891 . . . . 100.0 114.094 -179.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -60.62 -35.4 89.9 Favored 'Trans proline' 0 C--N 1.378 2.118 0 CA-C-N 122.763 2.022 . . . . 100.0 112.211 178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.84 -39.4 90.75 Favored 'General case' 0 C--N 1.355 0.816 0 C-N-CA 125.199 1.4 . . . . 100.0 110.928 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.65 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.8 m -70.36 -9.91 57.56 Favored 'General case' 0 C--N 1.358 0.937 0 C-N-CA 125.555 1.542 . . . . 100.0 111.036 178.509 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.6 m 61.8 39.21 14.2 Favored 'General case' 0 C--N 1.363 1.189 0 C-N-CA 126.884 2.074 . . . . 100.0 107.911 -177.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.39 -40.38 95.68 Favored 'General case' 0 CA--C 1.488 -1.414 0 CA-C-N 114.248 -1.342 . . . . 100.0 110.932 179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.8 mt -62.2 -44.61 96.2 Favored 'General case' 0 N--CA 1.443 -0.824 0 C-N-CA 123.592 0.757 . . . . 100.0 109.71 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -67.79 -37.38 81.96 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 125.498 1.519 . . . . 100.0 113.835 178.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.299 75.4 m-85 69.9 17.95 7.4 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 126.19 1.796 . . . . 100.0 113.481 -175.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.46 HH22 ' HB2' ' A' ' 48' ' ' GLU . 78.6 mtp180 -117.65 126.47 52.58 Favored 'General case' 0 N--CA 1.435 -1.189 0 N-CA-C 100.98 -3.711 . . . . 100.0 100.98 177.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -82.36 119.16 23.8 Favored 'General case' 0 CA--C 1.498 -1.024 0 N-CA-C 107.734 -1.209 . . . . 100.0 107.734 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.07 -41.63 99.69 Favored Glycine 0 C--N 1.355 1.626 0 C-N-CA 125.389 1.471 . . . . 100.0 114.461 -178.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.386 30.4 p90 -77.05 163.96 26.17 Favored 'General case' 0 N--CA 1.44 -0.97 0 CA-C-N 117.231 0.516 . . . . 100.0 112.123 179.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 67.2 m-85 63.36 70.5 0.53 Allowed 'General case' 0 C--N 1.362 1.113 0 C-N-CA 125.691 1.596 . . . . 100.0 106.844 -175.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 99.0 mt -60.9 -44.46 97.1 Favored 'General case' 0 CA--C 1.499 -1.015 0 C-N-CA 124.456 1.102 . . . . 100.0 111.668 -178.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.4 mt -90.1 94.65 9.86 Favored 'General case' 0 N--CA 1.432 -1.34 0 N-CA-C 106.993 -1.484 . . . . 100.0 106.993 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -104.31 114.36 28.54 Favored 'General case' 0 CA--C 1.489 -1.377 0 N-CA-C 103.498 -2.778 . . . . 100.0 103.498 178.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -66.16 -40.86 90.85 Favored 'General case' 0 CA--C 1.496 -1.102 0 CA-C-N 115.079 -0.964 . . . . 100.0 112.319 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -63.32 -42.91 99.04 Favored 'General case' 0 CA--C 1.503 -0.841 0 C-N-CA 124.11 0.964 . . . . 100.0 111.556 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -80.13 146.79 31.66 Favored 'General case' 0 N--CA 1.44 -0.943 0 CA-C-O 121.158 0.504 . . . . 100.0 109.731 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -101.19 127.3 47.82 Favored 'General case' 0 N--CA 1.434 -1.235 0 N-CA-C 107.705 -1.22 . . . . 100.0 107.705 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.459 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 42.5 m0 53.17 41.33 32.15 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 126.872 2.069 . . . . 100.0 113.643 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -63.3 -48.76 82.03 Favored Pre-proline 0 C--N 1.358 0.942 0 CA-C-O 117.14 -1.409 . . . . 100.0 110.987 -179.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -61.91 -37.8 63.29 Favored 'Trans proline' 0 C--N 1.385 2.462 0 C-N-CA 121.924 1.75 . . . . 100.0 112.345 178.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.459 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.8 mp0 -63.28 -41.7 99.01 Favored 'General case' 0 N--CA 1.435 -1.18 0 O-C-N 124.409 1.068 . . . . 100.0 111.775 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HB2' HH22 ' A' ' 32' ' ' ARG . 95.4 mt-10 -63.54 -42.89 98.39 Favored 'General case' 0 N--CA 1.44 -0.944 0 O-C-N 123.092 0.245 . . . . 100.0 110.56 178.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 97.4 mt -65.25 -41.09 94.65 Favored 'General case' 0 C--N 1.357 0.93 0 N-CA-C 112.99 0.737 . . . . 100.0 112.99 179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 89.9 mt -70.5 129.95 40.58 Favored 'General case' 0 CA--C 1.497 -1.087 0 N-CA-C 113.937 1.088 . . . . 100.0 113.937 -178.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 84.8 m -66.22 -44.14 84.66 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 125.188 1.395 . . . . 100.0 110.117 178.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -115.66 129.82 56.63 Favored 'General case' 0 CA--C 1.498 -1.052 0 N-CA-C 107.271 -1.381 . . . . 100.0 107.271 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.76 12.58 57.88 Favored Glycine 0 C--N 1.35 1.348 0 CA-C-O 118.759 -1.023 . . . . 100.0 114.18 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.23 -46.84 88.38 Favored 'General case' 0 C--N 1.354 0.804 0 C-N-CA 124.879 1.272 . . . . 100.0 112.476 -177.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.0 m-20 -67.7 -46.0 73.49 Favored 'General case' 0 N--CA 1.441 -0.876 0 C-N-CA 123.044 0.538 . . . . 100.0 111.846 179.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -91.67 60.4 3.98 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 113.105 0.779 . . . . 100.0 113.105 -178.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.3 p -147.88 153.83 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.01 0 N-CA-C 106.382 -1.71 . . . . 100.0 106.382 177.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 -74.96 156.45 36.29 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.326 -1.361 . . . . 100.0 107.326 178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -60.74 -44.06 93.93 Favored Pre-proline 0 C--N 1.353 0.732 0 N-CA-C 116.129 1.9 . . . . 100.0 116.129 -178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -61.48 -30.54 86.8 Favored 'Trans proline' 0 C--N 1.377 2.056 0 C-N-CA 122.379 2.053 . . . . 100.0 116.268 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -108.89 123.41 49.03 Favored 'General case' 0 CA--C 1.492 -1.269 0 CA-C-N 119.414 1.006 . . . . 100.0 110.006 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 84.3 mt -115.79 121.67 43.13 Favored 'General case' 0 N--CA 1.433 -1.281 0 CA-C-O 122.304 1.049 . . . . 100.0 109.137 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.5 m-20 -62.92 -40.18 96.83 Favored 'General case' 0 CA--C 1.495 -1.137 0 CA-C-N 113.594 -1.639 . . . . 100.0 111.722 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 85.2 mtp -61.38 -45.05 96.0 Favored 'General case' 0 CA--C 1.502 -0.873 0 C-N-CA 124.227 1.011 . . . . 100.0 111.682 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -65.83 -42.06 91.02 Favored 'General case' 0 CA--C 1.494 -1.201 0 N-CA-C 115.213 1.56 . . . . 100.0 115.213 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -108.2 122.22 62.32 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.886 0 N-CA-C 108.736 -0.839 . . . . 100.0 108.736 -177.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.9 t -64.23 -42.93 97.0 Favored 'Isoleucine or valine' 0 C--N 1.351 0.672 0 C-N-CA 125.295 1.438 . . . . 100.0 109.575 179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.1 m-85 -73.84 146.2 44.32 Favored 'General case' 0 CA--C 1.5 -0.957 0 C-N-CA 123.727 0.811 . . . . 100.0 110.89 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 54.23 40.61 31.86 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 126.078 1.751 . . . . 100.0 113.704 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.409 HG23 ' HB3' ' A' ' 63' ' ' ASP . 33.1 m -80.44 131.82 35.64 Favored 'General case' 0 N--CA 1.437 -1.076 0 N-CA-C 105.166 -2.161 . . . . 100.0 105.166 178.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 . . . . . 0 C--O 1.257 1.482 0 N-CA-C 107.525 -1.287 . . . . 100.0 107.525 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.535 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -80.11 166.96 20.97 Favored 'General case' 0 N--CA 1.44 -0.955 0 N-CA-C 108.343 -0.984 . . . . 100.0 108.343 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.8 m -83.08 73.73 10.04 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.963 -1.866 . . . . 100.0 105.963 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.63 157.95 44.45 Favored 'General case' 0 N--CA 1.431 -1.375 0 N-CA-C 105.808 -1.923 . . . . 100.0 105.808 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.414 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.27 139.05 58.73 Favored 'General case' 0 N--CA 1.438 -1.044 0 CA-C-N 115.665 -0.698 . . . . 100.0 111.207 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.91 33.89 23.31 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.854 1.662 . . . . 100.0 113.443 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.257 64.5 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 126.63 1.972 . . . . 100.0 113.748 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.756 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.3 m -71.34 132.34 44.72 Favored 'General case' 0 N--CA 1.443 -0.797 0 N-CA-C 108.404 -0.962 . . . . 100.0 108.404 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.72 -0.07 57.53 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 124.851 1.26 . . . . 100.0 111.687 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.756 ' H ' HG22 ' A' ' 8' ' ' THR . 72.5 mt-10 58.5 36.19 25.11 Favored 'General case' 0 C--N 1.357 0.921 0 C-N-CA 127.669 2.388 . . . . 100.0 113.22 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.477 ' HG3' HG23 ' A' ' 13' ' ' ILE . 23.9 pt20 -121.61 26.19 8.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 115.289 -0.868 . . . . 100.0 110.514 178.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.27 52.84 12.79 Favored 'General case' 0 C--N 1.362 1.146 0 N-CA-C 115.818 1.784 . . . . 100.0 115.818 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.805 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.14 55.16 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 CA-C-O 122.172 0.987 . . . . 100.0 112.123 -179.483 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.4 m -166.33 177.61 6.71 Favored 'General case' 0 CA--C 1.502 -0.897 0 C-N-CA 127.262 2.225 . . . . 100.0 107.989 178.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.19 -42.92 99.73 Favored 'General case' 0 C--N 1.361 1.074 0 N-CA-C 106.075 -1.824 . . . . 100.0 106.075 176.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.442 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.13 -174.27 3.5 Favored 'General case' 0 N--CA 1.436 -1.132 0 C-N-CA 124.953 1.301 . . . . 100.0 108.034 177.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.61 -43.22 97.7 Favored 'General case' 0 N--CA 1.439 -0.997 0 N-CA-C 120.306 3.447 . . . . 100.0 120.306 -176.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.647 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.1 mmm -84.44 -178.68 6.98 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 118.026 2.602 . . . . 100.0 118.026 -176.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 70.8 p -71.92 167.69 19.54 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.773 2.029 . . . . 100.0 112.157 -178.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.513 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.28 -39.27 86.29 Favored 'General case' 0 C--N 1.363 1.16 0 C-N-CA 124.552 1.141 . . . . 100.0 109.777 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.414 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.6 mt-10 -61.5 -39.19 90.09 Favored 'General case' 0 N--CA 1.444 -0.77 0 C-N-CA 125.628 1.571 . . . . 100.0 109.384 178.752 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -92.25 8.89 36.16 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 125.081 1.352 . . . . 100.0 112.411 -178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.615 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.61 -45.0 99.68 Favored Pre-proline 0 C--N 1.371 1.53 0 CA-C-O 116.17 -1.872 . . . . 100.0 114.141 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -60.56 -35.43 90.1 Favored 'Trans proline' 0 C--N 1.379 2.174 0 CA-C-N 122.671 1.99 . . . . 100.0 112.171 178.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.88 -39.39 90.64 Favored 'General case' 0 C--N 1.354 0.799 0 C-N-CA 125.208 1.403 . . . . 100.0 110.884 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.647 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.9 m -70.35 -9.95 57.66 Favored 'General case' 0 C--N 1.357 0.905 0 C-N-CA 125.542 1.537 . . . . 100.0 111.04 178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.76 39.21 14.31 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.854 2.062 . . . . 100.0 107.965 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.442 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.37 -40.44 95.85 Favored 'General case' 0 CA--C 1.488 -1.439 0 CA-C-N 114.226 -1.352 . . . . 100.0 110.927 179.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.09 -44.68 96.14 Favored 'General case' 0 N--CA 1.443 -0.818 0 C-N-CA 123.653 0.781 . . . . 100.0 109.729 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.5 mt-30 -66.81 -38.63 86.85 Favored 'General case' 0 N--CA 1.44 -0.934 0 C-N-CA 125.509 1.524 . . . . 100.0 113.484 178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.252 92.5 m-85 69.28 17.07 8.34 Favored 'General case' 0 C--N 1.363 1.186 0 C-N-CA 126.657 1.983 . . . . 100.0 111.782 -175.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 52.0 ttm-85 -114.56 120.18 39.32 Favored 'General case' 0 N--CA 1.434 -1.263 1 N-CA-C 99.884 -4.117 . . . . 100.0 99.884 178.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -81.6 123.99 29.15 Favored 'General case' 0 N--CA 1.438 -1.055 0 N-CA-C 109.756 -0.461 . . . . 100.0 109.756 -176.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.33 -42.59 99.15 Favored Glycine 0 C--N 1.356 1.69 0 C-N-CA 124.612 1.101 . . . . 100.0 112.418 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.363 18.5 p90 -80.04 165.53 22.45 Favored 'General case' 0 N--CA 1.44 -0.969 0 N-CA-C 112.501 0.556 . . . . 100.0 112.501 179.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 67.4 77.39 0.26 Allowed 'General case' 0 C--N 1.361 1.088 0 N-CA-C 105.756 -1.942 . . . . 100.0 105.756 -176.129 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.438 HD11 ' HA ' ' A' ' 46' ' ' PRO . 55.3 tp -60.29 -44.78 95.06 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 113.574 -1.648 . . . . 100.0 111.795 -178.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.4 mt -88.19 98.08 11.36 Favored 'General case' 0 N--CA 1.435 -1.184 0 N-CA-C 107.471 -1.307 . . . . 100.0 107.471 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.49 116.37 31.28 Favored 'General case' 0 CA--C 1.483 -1.619 0 N-CA-C 105.879 -1.897 . . . . 100.0 105.879 178.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -67.89 -40.88 83.43 Favored 'General case' 0 N--CA 1.436 -1.132 0 CA-C-N 114.809 -1.087 . . . . 100.0 110.685 178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -62.16 -44.73 95.96 Favored 'General case' 0 CA--C 1.499 -0.986 0 C-N-CA 125.059 1.343 . . . . 100.0 112.05 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -86.72 148.0 25.62 Favored 'General case' 0 CA--C 1.493 -1.25 0 CA-C-O 121.519 0.676 . . . . 100.0 111.095 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -97.36 127.33 43.24 Favored 'General case' 0 N--CA 1.43 -1.449 0 CA-C-N 114.915 -1.038 . . . . 100.0 108.213 -178.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.53 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 46.3 m0 53.72 39.96 30.89 Favored 'General case' 0 N--CA 1.438 -1.044 0 C-N-CA 126.911 2.085 . . . . 100.0 115.108 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -63.69 -46.34 82.64 Favored Pre-proline 0 C--N 1.356 0.884 0 CA-C-O 117.452 -1.261 . . . . 100.0 110.642 179.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.438 ' HA ' HD11 ' A' ' 37' ' ' LEU . 50.5 Cg_exo -60.42 -38.02 77.17 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.605 2.203 . . . . 100.0 111.545 178.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.53 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 53.0 mp0 -63.91 -39.93 95.32 Favored 'General case' 0 N--CA 1.432 -1.343 0 O-C-N 124.533 1.146 . . . . 100.0 111.914 179.69 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -61.88 -45.72 92.53 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 109.477 -0.564 . . . . 100.0 109.477 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 70.6 mt -66.55 -40.16 88.91 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 114.332 1.234 . . . . 100.0 114.332 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 130.22 40.15 Favored 'General case' 0 CA--C 1.501 -0.917 0 N-CA-C 113.88 1.067 . . . . 100.0 113.88 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 77.9 p -64.95 -43.96 90.99 Favored 'General case' 0 N--CA 1.442 -0.84 0 C-N-CA 125.031 1.333 . . . . 100.0 112.936 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 54.0 m-20 -115.53 129.65 56.61 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 106.499 -1.667 . . . . 100.0 106.499 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.84 9.75 56.93 Favored Glycine 0 N--CA 1.435 -1.396 0 CA-C-O 118.092 -1.393 . . . . 100.0 114.814 -179.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.413 ' O ' HG12 ' A' ' 57' ' ' VAL . 88.9 tt0 -60.92 -45.48 94.49 Favored 'General case' 0 C--N 1.357 0.92 0 CA-C-N 119.35 1.575 . . . . 100.0 113.474 -178.15 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -65.01 -48.26 74.56 Favored 'General case' 0 CA--C 1.504 -0.825 0 CA-C-N 118.065 0.393 . . . . 100.0 111.116 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -92.82 61.9 3.63 Favored 'General case' 0 N--CA 1.436 -1.126 0 N-CA-C 112.935 0.717 . . . . 100.0 112.935 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 54' ' ' GLU . 5.0 p -139.98 155.0 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.063 0 N-CA-C 106.278 -1.749 . . . . 100.0 106.278 177.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -71.9 149.04 45.5 Favored 'General case' 0 N--CA 1.438 -1.05 0 N-CA-C 105.34 -2.096 . . . . 100.0 105.34 179.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 52.0 m-20 -60.51 -43.82 93.83 Favored Pre-proline 0 C--N 1.354 0.787 0 N-CA-C 115.497 1.666 . . . . 100.0 115.497 -178.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.67 -32.12 92.83 Favored 'Trans proline' 0 C--N 1.376 2.011 0 C-N-CA 122.386 2.058 . . . . 100.0 115.618 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 48.7 m-20 -110.61 128.11 55.54 Favored 'General case' 0 CA--C 1.49 -1.34 0 CA-C-N 118.904 0.775 . . . . 100.0 112.17 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.0 mt -113.0 123.0 49.32 Favored 'General case' 0 N--CA 1.434 -1.236 0 N-CA-C 107.841 -1.17 . . . . 100.0 107.841 178.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.41 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.4 m-20 -62.7 -40.4 97.03 Favored 'General case' 0 CA--C 1.496 -1.109 0 C-N-CA 125.465 1.506 . . . . 100.0 112.048 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 74.1 mtm -61.84 -45.45 93.76 Favored 'General case' 0 C--N 1.355 0.821 0 C-N-CA 123.693 0.797 . . . . 100.0 111.291 -179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -66.38 -41.57 89.2 Favored 'General case' 0 N--CA 1.436 -1.169 0 N-CA-C 115.3 1.592 . . . . 100.0 115.3 -179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 44.0 t -107.77 123.35 63.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.962 0 CA-C-O 121.76 0.79 . . . . 100.0 108.958 -176.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.97 -42.55 95.05 Favored 'Isoleucine or valine' 0 C--N 1.352 0.681 0 C-N-CA 125.296 1.438 . . . . 100.0 109.294 179.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -72.38 143.68 48.48 Favored 'General case' 0 CA--C 1.499 -0.996 0 C-N-CA 124.02 0.928 . . . . 100.0 111.065 -179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 39.4 mt-10 53.28 42.37 32.09 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 126.042 1.737 . . . . 100.0 113.766 179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.41 HG23 ' HB3' ' A' ' 63' ' ' ASP . 38.4 m -81.25 127.49 32.76 Favored 'General case' 0 N--CA 1.437 -1.099 0 N-CA-C 104.264 -2.495 . . . . 100.0 104.264 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 . . . . . 0 C--O 1.258 1.519 0 CA-C-O 117.288 -1.339 . . . . 100.0 108.78 -179.421 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 108.969 -1.653 . . . . 100.0 108.969 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.5 t -79.98 167.02 21.01 Favored 'General case' 0 N--CA 1.439 -0.976 0 N-CA-C 108.403 -0.962 . . . . 100.0 108.403 179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.3 m -83.14 73.69 10.06 Favored 'General case' 0 C--N 1.358 0.957 0 N-CA-C 105.966 -1.864 . . . . 100.0 105.966 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.57 157.95 44.46 Favored 'General case' 0 N--CA 1.431 -1.423 0 N-CA-C 105.818 -1.919 . . . . 100.0 105.818 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.416 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.32 139.04 58.73 Favored 'General case' 0 N--CA 1.438 -1.045 0 CA-C-N 115.708 -0.678 . . . . 100.0 111.164 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.99 33.87 23.27 Favored 'General case' 0 N--CA 1.44 -0.942 0 C-N-CA 125.835 1.654 . . . . 100.0 113.387 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.255 65.3 p 49.99 48.9 21.25 Favored 'General case' 0 C--N 1.361 1.083 0 C-N-CA 126.7 2.0 . . . . 100.0 113.711 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.732 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.2 m -71.35 132.36 44.75 Favored 'General case' 0 C--N 1.354 0.803 0 N-CA-C 108.405 -0.961 . . . . 100.0 108.405 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.07 57.53 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 124.832 1.253 . . . . 100.0 111.665 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.732 ' H ' HG22 ' A' ' 8' ' ' THR . 72.6 mt-10 58.46 36.22 25.19 Favored 'General case' 0 C--N 1.357 0.891 0 C-N-CA 127.642 2.377 . . . . 100.0 113.232 -179.537 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.462 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.65 26.27 8.83 Favored 'General case' 0 N--CA 1.437 -1.096 0 CA-C-N 115.276 -0.875 . . . . 100.0 110.495 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.1 52.89 12.84 Favored 'General case' 0 C--N 1.362 1.129 0 N-CA-C 115.874 1.805 . . . . 100.0 115.874 179.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.826 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.04 120.08 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.965 0 CA-C-O 122.149 0.976 . . . . 100.0 112.181 -179.482 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.1 m -166.28 177.62 6.73 Favored 'General case' 0 CA--C 1.502 -0.881 0 C-N-CA 127.254 2.222 . . . . 100.0 107.978 178.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.96 99.77 Favored 'General case' 0 C--N 1.361 1.079 0 N-CA-C 106.062 -1.829 . . . . 100.0 106.062 176.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.45 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.1 -174.23 3.5 Favored 'General case' 0 N--CA 1.437 -1.114 0 C-N-CA 124.881 1.272 . . . . 100.0 107.992 177.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.62 -43.23 97.72 Favored 'General case' 0 N--CA 1.439 -1.002 0 N-CA-C 120.338 3.459 . . . . 100.0 120.338 -176.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.651 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 86.0 mmm -84.44 -178.59 6.95 Favored 'General case' 0 C--N 1.351 0.643 0 N-CA-C 118.045 2.609 . . . . 100.0 118.045 -176.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.407 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 71.0 p -71.98 167.68 19.61 Favored 'General case' 0 C--N 1.362 1.122 0 C-N-CA 126.778 2.031 . . . . 100.0 112.124 -178.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.502 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.31 -39.26 86.37 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 124.58 1.152 . . . . 100.0 109.722 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.416 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.53 -39.15 90.0 Favored 'General case' 0 N--CA 1.444 -0.769 0 C-N-CA 125.579 1.551 . . . . 100.0 109.44 178.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.25 8.92 36.02 Favored 'General case' 0 N--CA 1.438 -1.052 0 C-N-CA 125.13 1.372 . . . . 100.0 112.426 -178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.618 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.3 m -58.66 -44.99 99.66 Favored Pre-proline 0 C--N 1.371 1.51 0 CA-C-O 116.132 -1.89 . . . . 100.0 114.116 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.49 -35.53 90.06 Favored 'Trans proline' 0 C--N 1.379 2.142 0 CA-C-N 122.772 2.026 . . . . 100.0 112.212 178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.85 -39.38 90.71 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 125.219 1.408 . . . . 100.0 110.873 179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.651 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.34 -9.96 57.67 Favored 'General case' 0 C--N 1.357 0.915 0 C-N-CA 125.563 1.545 . . . . 100.0 111.053 178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.7 m 61.85 39.14 14.09 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 126.832 2.053 . . . . 100.0 107.972 -176.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.45 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.38 -40.39 95.73 Favored 'General case' 0 CA--C 1.488 -1.408 0 CA-C-N 114.235 -1.348 . . . . 100.0 110.927 179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.18 -47.38 84.78 Favored 'General case' 0 N--CA 1.442 -0.865 0 C-N-CA 123.631 0.772 . . . . 100.0 109.7 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -65.98 -38.42 88.48 Favored 'General case' 0 N--CA 1.439 -0.978 0 C-N-CA 125.611 1.564 . . . . 100.0 114.162 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 71.61 11.5 6.46 Favored 'General case' 0 C--N 1.361 1.09 0 C-N-CA 126.998 2.119 . . . . 100.0 111.918 -176.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 80.1 mtp180 -115.07 126.54 54.81 Favored 'General case' 0 N--CA 1.435 -1.223 0 N-CA-C 101.462 -3.533 . . . . 100.0 101.462 178.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 73.2 m-80 -78.08 125.98 30.14 Favored 'General case' 0 CA--C 1.492 -1.279 0 N-CA-C 112.849 0.685 . . . . 100.0 112.849 -178.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.2 -39.75 98.08 Favored Glycine 0 C--N 1.355 1.632 0 C-N-CA 125.812 1.672 . . . . 100.0 111.648 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.7 p90 -68.96 152.53 45.15 Favored 'General case' 0 N--CA 1.439 -1.015 0 C-N-CA 124.508 1.123 . . . . 100.0 112.087 178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 59.64 67.43 0.89 Allowed 'General case' 0 C--N 1.361 1.096 0 C-N-CA 125.53 1.532 . . . . 100.0 110.527 -177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.58 -42.6 97.04 Favored 'General case' 0 CA--C 1.497 -1.091 0 CA-C-N 114.228 -1.351 . . . . 100.0 112.215 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 59.4 mt -85.38 86.47 7.37 Favored 'General case' 0 N--CA 1.437 -1.081 0 N-CA-C 106.456 -1.683 . . . . 100.0 106.456 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -100.12 113.4 26.01 Favored 'General case' 0 N--CA 1.431 -1.393 0 N-CA-C 104.226 -2.509 . . . . 100.0 104.226 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 73.2 m-85 -66.76 -37.88 85.48 Favored 'General case' 0 N--CA 1.435 -1.21 0 CA-C-N 114.7 -1.136 . . . . 100.0 113.516 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -60.76 -45.44 94.32 Favored 'General case' 0 C--N 1.356 0.883 0 C-N-CA 123.874 0.87 . . . . 100.0 111.646 -179.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -93.41 148.79 21.75 Favored 'General case' 0 CA--C 1.492 -1.257 0 C-N-CA 120.309 -0.556 . . . . 100.0 110.186 178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 87.9 mt-10 -97.54 132.05 43.58 Favored 'General case' 0 N--CA 1.434 -1.236 0 CA-C-N 115.643 -0.708 . . . . 100.0 110.477 -178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 72.5 m95 55.75 38.37 30.0 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.627 2.371 . . . . 100.0 111.816 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 59.6 t80 -62.35 -49.52 83.58 Favored Pre-proline 0 C--N 1.358 0.953 0 CA-C-O 117.107 -1.425 . . . . 100.0 112.47 -178.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_endo -63.06 -37.28 53.75 Favored 'Trans proline' 0 C--N 1.38 2.222 0 CA-C-N 121.563 1.594 . . . . 100.0 112.077 178.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 54.5 mp0 -63.11 -42.16 99.49 Favored 'General case' 0 CA--C 1.489 -1.378 0 O-C-N 124.303 1.002 . . . . 100.0 112.265 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -63.96 -42.93 97.14 Favored 'General case' 0 N--CA 1.439 -0.975 0 O-C-N 123.389 0.43 . . . . 100.0 110.689 178.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.1 mt -65.08 -41.35 95.13 Favored 'General case' 0 C--N 1.357 0.913 0 N-CA-C 113.113 0.782 . . . . 100.0 113.113 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.0 mt -72.82 128.32 35.16 Favored 'General case' 0 CA--C 1.498 -1.051 0 N-CA-C 113.867 1.062 . . . . 100.0 113.867 -178.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 85.2 m -65.74 -44.77 84.95 Favored 'General case' 0 N--CA 1.443 -0.813 0 C-N-CA 124.772 1.229 . . . . 100.0 110.52 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -117.06 130.66 56.81 Favored 'General case' 0 CA--C 1.5 -0.945 0 N-CA-C 106.481 -1.674 . . . . 100.0 106.481 -179.56 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -103.77 10.73 52.83 Favored Glycine 0 N--CA 1.434 -1.462 0 CA-C-O 117.638 -1.646 . . . . 100.0 116.29 -179.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -61.48 -45.68 93.22 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 119.966 1.883 . . . . 100.0 113.65 -177.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -64.13 -48.76 74.81 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 118.202 0.455 . . . . 100.0 111.178 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -93.04 63.79 3.78 Favored 'General case' 0 N--CA 1.435 -1.192 0 N-CA-C 113.452 0.908 . . . . 100.0 113.452 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -140.34 153.62 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.082 0 N-CA-C 106.223 -1.769 . . . . 100.0 106.223 177.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -72.54 149.88 43.67 Favored 'General case' 0 N--CA 1.435 -1.211 0 N-CA-C 105.012 -2.218 . . . . 100.0 105.012 178.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -60.21 -43.2 93.09 Favored Pre-proline 0 C--N 1.353 0.751 0 N-CA-C 117.707 2.484 . . . . 100.0 117.707 -178.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -61.99 -26.56 78.73 Favored 'Trans proline' 0 C--N 1.376 1.992 0 C-N-CA 122.208 1.939 . . . . 100.0 115.475 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.3 m-20 -112.67 124.21 52.04 Favored 'General case' 0 CA--C 1.492 -1.256 0 CA-C-N 119.261 0.937 . . . . 100.0 110.361 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 87.5 mt -113.67 119.29 36.92 Favored 'General case' 0 CA--C 1.495 -1.146 0 N-CA-C 107.113 -1.44 . . . . 100.0 107.113 178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -61.68 -42.61 99.15 Favored 'General case' 0 CA--C 1.493 -1.228 0 C-N-CA 125.447 1.499 . . . . 100.0 113.219 -178.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 89.6 mtp -62.96 -43.46 98.74 Favored 'General case' 0 CA--C 1.502 -0.866 0 C-N-CA 122.753 0.421 . . . . 100.0 112.124 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -65.86 -41.92 91.07 Favored 'General case' 0 N--CA 1.436 -1.166 0 N-CA-C 114.842 1.423 . . . . 100.0 114.842 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.6 t -108.78 125.05 65.78 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 CA-C-O 121.711 0.767 . . . . 100.0 109.978 -176.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.6 t -64.76 -41.87 93.38 Favored 'Isoleucine or valine' 0 C--N 1.352 0.694 0 C-N-CA 125.845 1.658 . . . . 100.0 109.507 178.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -69.92 141.12 53.15 Favored 'General case' 0 CA--C 1.497 -1.06 0 C-N-CA 123.956 0.902 . . . . 100.0 111.203 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 53.21 42.6 32.13 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 126.199 1.8 . . . . 100.0 114.218 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.9 m -77.76 129.88 36.04 Favored 'General case' 0 N--CA 1.441 -0.906 0 N-CA-C 105.255 -2.128 . . . . 100.0 105.255 178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 . . . . . 0 C--O 1.258 1.55 0 CA-C-O 117.331 -1.319 . . . . 100.0 108.234 -179.271 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.553 0 N-CA-C 108.963 -1.655 . . . . 100.0 108.963 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.06 167.0 20.97 Favored 'General case' 0 N--CA 1.439 -0.989 0 N-CA-C 108.363 -0.977 . . . . 100.0 108.363 179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.5 m -83.12 73.69 10.05 Favored 'General case' 0 C--N 1.358 0.937 0 N-CA-C 105.969 -1.863 . . . . 100.0 105.969 -179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.6 157.96 44.44 Favored 'General case' 0 N--CA 1.431 -1.407 0 N-CA-C 105.782 -1.932 . . . . 100.0 105.782 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.408 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.41 139.1 58.74 Favored 'General case' 0 N--CA 1.437 -1.077 0 CA-C-N 115.636 -0.711 . . . . 100.0 111.196 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.88 33.95 23.36 Favored 'General case' 0 N--CA 1.44 -0.933 0 C-N-CA 125.839 1.656 . . . . 100.0 113.442 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 64.5 p 49.94 48.93 21.16 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 126.703 2.001 . . . . 100.0 113.722 179.15 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.74 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.4 m -71.4 132.35 44.69 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.369 -0.975 . . . . 100.0 108.369 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.73 -0.08 57.53 Favored 'General case' 0 C--N 1.355 0.824 0 C-N-CA 124.83 1.252 . . . . 100.0 111.661 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.74 ' H ' HG22 ' A' ' 8' ' ' THR . 72.4 mt-10 58.41 36.25 25.29 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 127.716 2.406 . . . . 100.0 113.216 -179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.459 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.62 26.26 8.86 Favored 'General case' 0 N--CA 1.437 -1.1 0 CA-C-N 115.305 -0.861 . . . . 100.0 110.511 178.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.19 52.85 12.85 Favored 'General case' 0 C--N 1.362 1.14 0 N-CA-C 115.87 1.804 . . . . 100.0 115.87 179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.807 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -104.98 120.12 55.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.955 0 CA-C-O 122.115 0.959 . . . . 100.0 112.159 -179.473 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 98.8 m -166.32 177.62 6.71 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 127.32 2.248 . . . . 100.0 107.989 178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.23 -42.92 99.75 Favored 'General case' 0 C--N 1.361 1.088 0 N-CA-C 106.079 -1.823 . . . . 100.0 106.079 176.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.06 -174.2 3.5 Favored 'General case' 0 N--CA 1.436 -1.152 0 C-N-CA 124.916 1.286 . . . . 100.0 108.062 176.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.65 -43.25 97.84 Favored 'General case' 0 N--CA 1.439 -0.983 0 N-CA-C 120.318 3.451 . . . . 100.0 120.318 -176.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.639 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.9 mmm -84.39 -178.6 6.96 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 118.056 2.613 . . . . 100.0 118.056 -176.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.405 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.5 p -71.95 167.68 19.58 Favored 'General case' 0 C--N 1.363 1.166 0 C-N-CA 126.801 2.041 . . . . 100.0 112.154 -178.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.506 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.2 m-85 -60.29 -39.22 86.15 Favored 'General case' 0 C--N 1.363 1.161 0 C-N-CA 124.517 1.127 . . . . 100.0 109.786 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.408 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.16 90.17 Favored 'General case' 0 N--CA 1.443 -0.778 0 C-N-CA 125.62 1.568 . . . . 100.0 109.379 178.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -92.3 8.96 35.97 Favored 'General case' 0 N--CA 1.439 -1.021 0 C-N-CA 125.115 1.366 . . . . 100.0 112.417 -178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.604 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.4 m -58.69 -44.97 99.64 Favored Pre-proline 0 C--N 1.372 1.544 0 CA-C-O 116.119 -1.896 . . . . 100.0 114.157 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -60.5 -35.52 90.05 Favored 'Trans proline' 0 C--N 1.378 2.091 0 CA-C-N 122.728 2.01 . . . . 100.0 112.188 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.8 -39.35 90.85 Favored 'General case' 0 C--N 1.355 0.829 0 C-N-CA 125.148 1.379 . . . . 100.0 110.924 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.639 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.7 m -70.42 -9.93 57.73 Favored 'General case' 0 C--N 1.357 0.93 0 C-N-CA 125.586 1.554 . . . . 100.0 110.999 178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.19 14.21 Favored 'General case' 0 C--N 1.364 1.234 0 C-N-CA 126.865 2.066 . . . . 100.0 107.957 -177.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.43 -40.39 95.66 Favored 'General case' 0 CA--C 1.488 -1.435 0 CA-C-N 114.257 -1.338 . . . . 100.0 110.888 179.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.7 mt -62.15 -45.46 93.32 Favored 'General case' 0 N--CA 1.442 -0.838 0 C-N-CA 123.654 0.782 . . . . 100.0 109.697 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -67.87 -35.44 78.54 Favored 'General case' 0 N--CA 1.437 -1.123 0 C-N-CA 124.175 0.99 . . . . 100.0 113.383 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . 0.278 64.8 m-85 66.85 25.19 9.6 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 125.473 1.509 . . . . 100.0 112.203 -175.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 78.4 mtp85 -122.17 124.46 43.9 Favored 'General case' 0 N--CA 1.429 -1.482 0 N-CA-C 101.134 -3.654 . . . . 100.0 101.134 178.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 44.3 t-20 -79.85 116.76 20.19 Favored 'General case' 0 N--CA 1.439 -1.017 0 N-CA-C 107.107 -1.442 . . . . 100.0 107.107 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.01 -41.37 99.67 Favored Glycine 0 C--N 1.355 1.629 0 C-N-CA 125.401 1.476 . . . . 100.0 114.075 -178.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . 0.353 40.1 p90 -73.3 152.06 41.09 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 112.964 0.727 . . . . 100.0 112.964 179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 64.08 75.46 0.38 Allowed 'General case' 0 C--N 1.361 1.092 0 C-N-CA 126.58 1.952 . . . . 100.0 108.046 -176.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.19 -44.46 96.55 Favored 'General case' 0 CA--C 1.5 -0.949 0 C-N-CA 124.169 0.988 . . . . 100.0 110.664 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 72.6 mt -89.28 92.2 9.07 Favored 'General case' 0 N--CA 1.43 -1.451 0 N-CA-C 107.423 -1.325 . . . . 100.0 107.423 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.57 112.41 25.32 Favored 'General case' 0 CA--C 1.491 -1.315 0 N-CA-C 103.021 -2.955 . . . . 100.0 103.021 178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -66.1 -38.77 89.06 Favored 'General case' 0 CA--C 1.499 -0.997 0 C-N-CA 124.05 0.94 . . . . 100.0 112.075 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -62.21 -44.16 97.2 Favored 'General case' 0 C--N 1.357 0.903 0 C-N-CA 124.536 1.134 . . . . 100.0 111.144 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 -80.31 149.41 30.32 Favored 'General case' 0 C--N 1.358 0.978 0 N-CA-C 109.096 -0.705 . . . . 100.0 109.096 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -104.08 126.61 51.33 Favored 'General case' 0 N--CA 1.434 -1.24 0 N-CA-C 107.265 -1.383 . . . . 100.0 107.265 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.466 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.4 m0 54.81 39.42 31.41 Favored 'General case' 0 N--CA 1.44 -0.937 0 C-N-CA 126.642 1.977 . . . . 100.0 114.053 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' PRO . 46.8 t80 -63.49 -48.1 82.05 Favored Pre-proline 0 N--CA 1.441 -0.915 0 CA-C-O 117.367 -1.301 . . . . 100.0 110.6 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.413 ' HD2' ' N ' ' A' ' 45' ' ' TYR . 35.1 Cg_endo -62.75 -36.01 65.23 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.1 1.867 . . . . 100.0 111.997 177.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 54.7 mp0 -63.77 -40.88 97.76 Favored 'General case' 0 CA--C 1.494 -1.183 0 O-C-N 124.189 0.931 . . . . 100.0 111.588 179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.27 -43.35 98.2 Favored 'General case' 0 C--N 1.357 0.918 0 N-CA-C 110.149 -0.315 . . . . 100.0 110.149 178.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 95.4 mt -64.86 -41.87 95.33 Favored 'General case' 0 C--N 1.358 0.941 0 N-CA-C 113.311 0.856 . . . . 100.0 113.311 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 91.1 mt -70.97 129.86 40.11 Favored 'General case' 0 CA--C 1.495 -1.145 0 N-CA-C 114.556 1.317 . . . . 100.0 114.556 -178.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 97.1 m -65.21 -45.06 86.29 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-N 114.252 -1.34 . . . . 100.0 110.146 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 55.6 m-20 -115.9 130.05 56.66 Favored 'General case' 0 CA--C 1.495 -1.167 0 N-CA-C 107.599 -1.26 . . . . 100.0 107.599 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -101.19 12.85 58.77 Favored Glycine 0 N--CA 1.436 -1.332 0 CA-C-O 118.415 -1.214 . . . . 100.0 114.21 -179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -59.84 -46.46 89.18 Favored 'General case' 0 C--N 1.356 0.859 0 CA-C-N 118.72 1.26 . . . . 100.0 112.791 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -66.22 -47.71 72.96 Favored 'General case' 0 CA--C 1.502 -0.875 0 C-N-CA 123.029 0.532 . . . . 100.0 111.282 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -92.03 62.36 4.21 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 113.209 0.818 . . . . 100.0 113.209 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -147.14 155.69 10.99 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.884 0 N-CA-C 107.03 -1.47 . . . . 100.0 107.03 177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -72.85 149.71 43.3 Favored 'General case' 0 N--CA 1.442 -0.842 0 N-CA-C 106.237 -1.764 . . . . 100.0 106.237 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -60.39 -44.01 94.68 Favored Pre-proline 0 C--N 1.358 0.957 0 N-CA-C 116.274 1.953 . . . . 100.0 116.274 -177.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -62.86 -26.61 74.62 Favored 'Trans proline' 0 C--N 1.374 1.895 0 C-N-CA 122.572 2.181 . . . . 100.0 115.076 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -109.58 123.42 49.4 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 119.02 0.827 . . . . 100.0 110.153 -178.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 80.6 mt -114.63 119.98 38.6 Favored 'General case' 0 CA--C 1.492 -1.285 0 CA-C-O 122.149 0.976 . . . . 100.0 108.376 178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.431 ' HB3' HG23 ' A' ' 70' ' ' THR . 98.1 m-20 -62.95 -41.19 99.44 Favored 'General case' 0 CA--C 1.496 -1.12 0 CA-C-N 113.805 -1.543 . . . . 100.0 112.301 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 35.9 mmt -63.75 -41.83 97.95 Favored 'General case' 0 CA--C 1.497 -1.073 0 N-CA-C 112.397 0.518 . . . . 100.0 112.397 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 47.0 mm-40 -64.27 -43.46 94.78 Favored 'General case' 0 N--CA 1.433 -1.313 0 N-CA-C 113.893 1.071 . . . . 100.0 113.893 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.1 t -112.54 124.24 69.02 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 109.089 -0.708 . . . . 100.0 109.089 -177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.8 t -64.46 -41.3 91.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 C-N-CA 125.306 1.442 . . . . 100.0 109.205 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -67.26 139.98 57.34 Favored 'General case' 0 CA--C 1.503 -0.85 0 C-N-CA 124.68 1.192 . . . . 100.0 110.665 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 53.57 42.23 31.95 Favored 'General case' 0 C--N 1.355 0.811 0 C-N-CA 126.473 1.909 . . . . 100.0 114.202 179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.431 HG23 ' HB3' ' A' ' 63' ' ' ASP . 25.1 m -81.38 129.83 34.79 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 105.388 -2.079 . . . . 100.0 105.388 178.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.548 0 CA-C-O 117.177 -1.392 . . . . 100.0 107.354 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 108.959 -1.656 . . . . 100.0 108.959 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -80.09 167.05 20.89 Favored 'General case' 0 N--CA 1.44 -0.954 0 N-CA-C 108.409 -0.96 . . . . 100.0 108.409 179.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.6 m -83.14 73.67 10.06 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 105.915 -1.883 . . . . 100.0 105.915 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -141.61 157.98 44.41 Favored 'General case' 0 N--CA 1.431 -1.418 0 N-CA-C 105.779 -1.934 . . . . 100.0 105.779 179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' MET . . . . . 0.424 ' HG2' ' HG2' ' A' ' 21' ' ' GLU . 24.9 ptp -63.36 139.07 58.73 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 115.637 -0.71 . . . . 100.0 111.213 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 58.95 33.87 23.28 Favored 'General case' 0 N--CA 1.441 -0.91 0 C-N-CA 125.798 1.639 . . . . 100.0 113.413 -179.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . 0.256 65.4 p 50.04 48.84 21.39 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.669 1.988 . . . . 100.0 113.717 179.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.761 HG22 ' H ' ' A' ' 10' ' ' GLU . 30.1 m -71.36 132.29 44.64 Favored 'General case' 0 N--CA 1.443 -0.816 0 N-CA-C 108.401 -0.962 . . . . 100.0 108.401 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.0 mpp? -91.63 -0.09 57.54 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 124.825 1.25 . . . . 100.0 111.753 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.761 ' H ' HG22 ' A' ' 8' ' ' THR . 72.7 mt-10 58.44 36.26 25.25 Favored 'General case' 0 C--N 1.357 0.916 0 C-N-CA 127.641 2.376 . . . . 100.0 113.223 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.467 ' HG3' HG23 ' A' ' 13' ' ' ILE . 24.0 pt20 -121.64 26.24 8.86 Favored 'General case' 0 N--CA 1.438 -1.06 0 CA-C-N 115.248 -0.887 . . . . 100.0 110.508 178.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 53.16 52.92 12.75 Favored 'General case' 0 C--N 1.363 1.16 0 N-CA-C 115.853 1.797 . . . . 100.0 115.853 179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.825 ' H ' HD13 ' A' ' 13' ' ' ILE . 0.1 OUTLIER -105.05 120.1 55.11 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.958 0 CA-C-O 122.131 0.967 . . . . 100.0 112.133 -179.468 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 23' ' ' CYS . 99.5 m -166.32 177.63 6.7 Favored 'General case' 0 CA--C 1.502 -0.89 0 C-N-CA 127.258 2.223 . . . . 100.0 107.995 178.369 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.17 -42.93 99.73 Favored 'General case' 0 C--N 1.362 1.119 0 N-CA-C 106.092 -1.818 . . . . 100.0 106.092 176.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 28' ' ' ALA . 96.3 m-70 -93.08 -174.19 3.49 Favored 'General case' 0 N--CA 1.437 -1.097 0 C-N-CA 124.91 1.284 . . . . 100.0 108.018 177.04 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 89.9 p -60.74 -43.18 98.23 Favored 'General case' 0 N--CA 1.439 -1.007 0 N-CA-C 120.343 3.46 . . . . 100.0 120.343 -176.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.643 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 85.8 mmm -84.34 -178.67 6.99 Favored 'General case' 0 N--CA 1.446 -0.644 0 N-CA-C 118.065 2.617 . . . . 100.0 118.065 -176.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 ' C ' ' SG ' ' A' ' 14' ' ' CYS . 70.7 p -71.91 167.7 19.52 Favored 'General case' 0 C--N 1.363 1.168 0 C-N-CA 126.847 2.059 . . . . 100.0 112.172 -178.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.508 ' HA ' ' SG ' ' A' ' 23' ' ' CYS . 62.1 m-85 -60.38 -39.2 86.42 Favored 'General case' 0 C--N 1.362 1.148 0 C-N-CA 124.491 1.117 . . . . 100.0 109.739 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.424 ' HG2' ' HG2' ' A' ' 5' ' ' MET . 81.5 mt-10 -61.58 -39.17 90.21 Favored 'General case' 0 N--CA 1.443 -0.784 0 C-N-CA 125.583 1.553 . . . . 100.0 109.388 178.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -92.16 8.83 36.2 Favored 'General case' 0 N--CA 1.437 -1.077 0 C-N-CA 125.133 1.373 . . . . 100.0 112.464 -178.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.598 ' SG ' ' SG ' ' A' ' 14' ' ' CYS . 26.6 m -58.63 -44.98 99.66 Favored Pre-proline 0 C--N 1.371 1.514 0 CA-C-O 116.13 -1.891 . . . . 100.0 114.167 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -60.45 -35.53 90.28 Favored 'Trans proline' 0 C--N 1.379 2.153 0 CA-C-N 122.732 2.011 . . . . 100.0 112.251 178.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.81 -39.34 90.8 Favored 'General case' 0 C--N 1.355 0.848 0 C-N-CA 125.194 1.398 . . . . 100.0 110.927 178.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.643 ' SG ' ' HB2' ' A' ' 18' ' ' MET . 51.6 m -70.44 -9.95 57.81 Favored 'General case' 0 C--N 1.357 0.909 0 C-N-CA 125.533 1.533 . . . . 100.0 111.006 178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.1 m 61.8 39.26 14.14 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 126.865 2.066 . . . . 100.0 107.949 -177.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.436 ' HA ' ' CD2' ' A' ' 16' ' ' HIS . . . -64.51 -40.4 95.57 Favored 'General case' 0 CA--C 1.488 -1.432 0 CA-C-N 114.212 -1.358 . . . . 100.0 110.878 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.3 mt -62.04 -44.64 96.26 Favored 'General case' 0 N--CA 1.442 -0.839 0 C-N-CA 123.609 0.763 . . . . 100.0 109.759 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 81.8 mt-30 -65.97 -39.13 90.11 Favored 'General case' 0 C--N 1.355 0.837 0 C-N-CA 124.774 1.229 . . . . 100.0 112.181 178.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 71.28 11.8 6.75 Favored 'General case' 0 C--N 1.366 1.283 0 C-N-CA 127.171 2.188 . . . . 100.0 111.923 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 64.3 ttt180 -125.63 126.83 45.35 Favored 'General case' 0 N--CA 1.43 -1.448 0 N-CA-C 100.546 -3.872 . . . . 100.0 100.546 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 31.5 m120 -78.76 127.89 32.68 Favored 'General case' 0 CA--C 1.482 -1.653 0 N-CA-C 115.072 1.508 . . . . 100.0 115.072 -177.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.19 -41.49 99.71 Favored Glycine 0 C--N 1.355 1.616 0 C-N-CA 125.824 1.678 . . . . 100.0 111.841 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 22.9 p90 -72.01 160.07 33.14 Favored 'General case' 0 N--CA 1.439 -1.007 0 C-N-CA 124.032 0.933 . . . . 100.0 112.24 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . 0.267 46.7 m-85 66.59 79.54 0.24 Allowed 'General case' 0 CA--C 1.487 -1.451 0 C-N-CA 125.979 1.712 . . . . 100.0 107.75 -177.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 95.6 mt -60.86 -45.47 94.41 Favored 'General case' 0 N--CA 1.438 -1.047 0 CA-C-N 114.14 -1.391 . . . . 100.0 111.793 -178.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 65.7 tp -92.45 98.66 11.61 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 106.951 -1.5 . . . . 100.0 106.951 -179.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -109.54 115.55 30.13 Favored 'General case' 0 CA--C 1.48 -1.737 0 N-CA-C 105.734 -1.951 . . . . 100.0 105.734 178.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -66.59 -42.89 86.23 Favored 'General case' 0 N--CA 1.435 -1.179 0 CA-C-N 114.297 -1.319 . . . . 100.0 110.248 179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -63.23 -44.44 95.23 Favored 'General case' 0 CA--C 1.499 -0.999 0 C-N-CA 124.61 1.164 . . . . 100.0 112.855 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -84.71 146.42 27.43 Favored 'General case' 0 CA--C 1.49 -1.348 0 CA-C-O 121.488 0.661 . . . . 100.0 110.748 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -96.5 128.33 43.33 Favored 'General case' 0 N--CA 1.43 -1.445 0 CA-C-N 114.989 -1.005 . . . . 100.0 111.065 -178.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.453 ' HB3' ' HB2' ' A' ' 47' ' ' GLU . 45.9 m0 52.48 39.3 27.51 Favored 'General case' 0 N--CA 1.438 -1.037 0 C-N-CA 127.581 2.352 . . . . 100.0 114.519 179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -64.1 -48.85 76.49 Favored Pre-proline 0 N--CA 1.437 -1.082 0 CA-C-O 117.209 -1.376 . . . . 100.0 111.687 179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -62.43 -34.87 75.08 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 121.86 1.706 . . . . 100.0 111.373 177.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 44' ' ' TRP . 55.1 mp0 -63.38 -40.07 96.25 Favored 'General case' 0 N--CA 1.434 -1.231 0 O-C-N 124.164 0.915 . . . . 100.0 111.702 179.059 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -63.47 -43.32 97.65 Favored 'General case' 0 C--N 1.36 1.056 0 N-CA-C 110.095 -0.335 . . . . 100.0 110.095 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.19 -39.68 89.87 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 113.679 0.992 . . . . 100.0 113.679 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.6 mt -70.91 129.19 38.41 Favored 'General case' 0 CA--C 1.5 -0.961 0 N-CA-C 113.504 0.927 . . . . 100.0 113.504 -179.062 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 92.5 m -67.89 -42.52 81.09 Favored 'General case' 0 N--CA 1.441 -0.878 0 C-N-CA 124.302 1.041 . . . . 100.0 109.401 178.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 -117.07 128.76 55.47 Favored 'General case' 0 CA--C 1.498 -1.048 0 N-CA-C 107.325 -1.361 . . . . 100.0 107.325 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -102.48 15.28 56.16 Favored Glycine 0 C--N 1.351 1.399 0 CA-C-O 118.031 -1.427 . . . . 100.0 115.638 -178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -60.34 -46.57 89.44 Favored 'General case' 0 C--N 1.359 1.02 0 CA-C-N 119.307 1.554 . . . . 100.0 112.951 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 58.8 m-20 -65.97 -47.16 75.52 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 112.261 0.467 . . . . 100.0 112.261 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -91.48 60.85 4.2 Favored 'General case' 0 N--CA 1.435 -1.178 0 N-CA-C 113.095 0.776 . . . . 100.0 113.095 -179.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.7 p -145.76 155.26 13.0 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.94 0 N-CA-C 107.027 -1.471 . . . . 100.0 107.027 177.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -73.75 153.91 39.81 Favored 'General case' 0 N--CA 1.439 -0.992 0 N-CA-C 107.734 -1.21 . . . . 100.0 107.734 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -60.27 -44.56 96.44 Favored Pre-proline 0 N--CA 1.444 -0.745 0 N-CA-C 115.536 1.68 . . . . 100.0 115.536 -177.173 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -62.45 -26.28 76.44 Favored 'Trans proline' 0 C--N 1.375 1.972 0 C-N-CA 122.015 1.81 . . . . 100.0 115.797 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -111.07 123.99 51.28 Favored 'General case' 0 CA--C 1.493 -1.217 0 CA-C-N 118.865 0.757 . . . . 100.0 110.368 -178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.8 mt -114.76 119.92 38.3 Favored 'General case' 0 N--CA 1.435 -1.215 0 N-CA-C 107.616 -1.253 . . . . 100.0 107.616 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.33 -41.03 98.23 Favored 'General case' 0 CA--C 1.496 -1.12 0 C-N-CA 125.585 1.554 . . . . 100.0 111.873 -179.241 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' MET . . . . . . . . . . . . . 88.1 mtp -61.42 -45.06 95.89 Favored 'General case' 0 N--CA 1.439 -1.016 0 C-N-CA 124.493 1.117 . . . . 100.0 111.928 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -66.74 -42.38 86.31 Favored 'General case' 0 N--CA 1.438 -1.074 0 N-CA-C 115.609 1.707 . . . . 100.0 115.609 -179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.4 t -107.66 125.0 64.09 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 C-N-CA 119.938 -0.705 . . . . 100.0 109.652 -176.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.01 -43.73 97.66 Favored 'Isoleucine or valine' 0 C--N 1.354 0.761 0 C-N-CA 125.732 1.613 . . . . 100.0 109.987 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -75.71 146.92 39.77 Favored 'General case' 0 N--CA 1.436 -1.142 0 C-N-CA 123.136 0.574 . . . . 100.0 111.315 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 55.17 39.99 31.61 Favored 'General case' 0 C--N 1.355 0.806 0 C-N-CA 126.063 1.745 . . . . 100.0 113.48 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 54.4 m -79.26 132.54 36.52 Favored 'General case' 0 N--CA 1.438 -1.031 0 N-CA-C 105.614 -1.995 . . . . 100.0 105.614 178.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 . . . . . 0 C--O 1.257 1.488 0 N-CA-C 107.585 -1.265 . . . . 100.0 107.585 179.791 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_